SCHEMBL17801327

SCHEMBL17801327

O=C(Nc1ccc(F)cc1)c1ccc(N2CCN(C(=O)O)CC2)cc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.73
RAB9A P51151 5/20 0.73
TP53 P04637 3/20 0.73
SMN1; SMN2 Q16637 3/20 0.73
MAPK1 P28482 2/20 0.73
ALOX15 P16050 1/20 0.73
HTT P42858 1/20 0.73
MAPT P10636 10/20 0.66
ALDH1A1 P00352 4/20 0.63
POLB P06746 2/20 0.63
GLA P06280 1/20 0.61
HPGD P15428 2/20 0.61
CYP2C9 P11712 1/20 0.61
CYP2C19 P33261 1/20 0.61
CA12 O43570 1/20 0.60
CA1 P00915 1/20 0.60
CA2 P00918 1/20 0.60
CA9 Q16790 1/20 0.60
LMNA P02545 1/20 0.58
TDP1 Q9NUW8 1/20 0.58

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL18938519 0.89 NPC1 (0.77) NPC1RAB9ATP53SMN1; SMN2MAPK1
SCHEMBL5183604 0.88 NPC1 (0.64) NPC1RAB9ATP53SMN1; SMN2MAPK1
SCHEMBL5184734 0.88 NPC1 (0.64) NPC1RAB9ATP53SMN1; SMN2MAPK1
SCHEMBL5183437 0.86 NPC1 (0.62) NPC1RAB9ATP53SMN1; SMN2MAPK1
SCHEMBL5184503 0.86 KMT2A (0.75) NPC1RAB9ATP53SMN1; SMN2MAPK1
SCHEMBL18938397 0.86 NPC1 (0.77) NPC1RAB9ATP53SMN1; SMN2MAPK1
SCHEMBL3061178 0.85 NPC1 (0.78) NPC1RAB9ATP53SMN1; SMN2MAPK1
SCHEMBL18470910 0.85 RAB9A (1.00) NPC1RAB9ATP53SMN1; SMN2MAPK1
SCHEMBL3142490 0.85 RAB9A (1.00) NPC1RAB9ATP53SMN1; SMN2MAPK1
SCHEMBL632109 0.84 CA12 (0.69) TP53SMN1; SMN2MAPK1ALOX15HTT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230295133-A1 PROCESS FOR PREPARING A COMPOUND USEFUL TO TREAT MYCOSES PULMOCIDE LIMITED (GB) 2023-09-21 US disclosed
US-11661415-B2 Process for preparing a compound useful to treat mycoses PULMOCIDE LIMITED (GB) 2023-05-30 US disclosed
US-20210238169-A1 PROCESS FOR PREPARING A COMPOUND OF FORMULA (XIII) PULMOCIDE LIMITED (GB) 2021-08-05 US disclosed
US-11008307-B2 Compounds which are used in the preparation of the compound of formula (I) PULMOCIDE LIMITED (GB) 2021-05-18 US disclosed
US-20210048874-A1 PROCESS FOR PREPARING A COMPOUND USEFUL TO TREAT MYCOSES PULMOCIDE LIMITED (GB) 2021-02-18 US disclosed
US-20200399253-A1 COMPOUNDS WHICH ARE USED IN THE PREPARATION OF THE COMPOUND OF FORMULA (I) PULMOCIDE LIMITED (GB) 2020-12-24 US disclosed
US-10858345-B2 Process for preparing a compound useful to treat mycoses PULMOCIDE LIMITED (GB) 2020-12-08 US disclosed
US-10800762-B2 Compounds which are used in the preparation of the compound of formula (II) PULMOCIDE LIMITED (GB) 2020-10-13 US disclosed
US-20200239453-A1 PROCESS FOR PREPARING A COMPOUND USEFUL TO TREAT MYCOSES PULMOCIDE LIMITED (GB) 2020-07-30 US disclosed
US-10662179-B2 Process for preparing a compound useful to treat mycoses PULMOCIDE LIMITED (GB) 2020-05-26 US disclosed
US-20190023697-A1 Antimycotic compound PULMOCIDE LIMITED (GB) 2019-01-24 US disclosed
US-20190023696-A1 COMPOUND PULMOCIDE LIMITED (GB) 2019-01-24 US disclosed
US-10106531-B2 Compound useful to treat mycoses PULMOCIDE LIMITED (GB) 2018-10-23 US disclosed
US-10093659-B2 Compound useful to treat mycoses PLUMOCIDE LIMITED (GB) 2018-10-09 US disclosed
US-20170320858-A1 COMPOUND PULMOCIDE LIMITED (GB) 2017-11-09 US disclosed
EP-3227278-A1 ANTIMYCOTIC COMPOUND Pulmocide Limited (GB) 2017-10-11 EP disclosed
EP-3227277-A1 ANTIMYCOTIC COMPOUND Pulmocide Limited (GB) 2017-10-11 EP disclosed
US-20170037035-A1 COMPOUND PULMOCIDE LIMITED (GB) 2017-02-09 US disclosed
WO-2016087880-A1 ANTIMYCOTIC COMPOUND PULMOCIDE LIMITED (GB) 2016-06-09 WO disclosed
WO-2016087878-A1 ANTIMYCOTIC COMPOUND PULMOCIDE LIMITED (GB) 2016-06-09 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (15 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20170320858-A1 COMPOUND MYC, DPM1, ERG28 NPC1 405/4885RAB9A 3472/4885TP53 997/4885
US-20190023696-A1 COMPOUND DPM1, MYC, ERG28 NPC1 316/4885RAB9A 3538/4885TP53 1004/4885
US-10093659-B2 Compound useful to treat mycoses DPM1, MYC, ERG28 NPC1 325/4885RAB9A 3139/4885TP53 803/4885
US-20200399253-A1 COMPOUNDS WHICH ARE USED IN THE PREPARATION OF THE COMPOUND OF FORMULA (I) CYP11B2, CYP11B1, CYP21A2 NPC1 141/4885RAB9A 2502/4885TP53 3684/4885
US-10106531-B2 Compound useful to treat mycoses DPM1, ERG28, MYC NPC1 390/4885RAB9A 2872/4885TP53 868/4885
US-10662179-B2 Process for preparing a compound useful to treat mycoses ERG28, DPM1, CYP51A1 NPC1 226/4885RAB9A 2224/4885TP53 790/4885
US-11008307-B2 Compounds which are used in the preparation of the compound of formula (I) CYP11B2, CYP11B1, CYP21A2 NPC1 141/4885RAB9A 2502/4885TP53 3684/4885
US-20190023697-A1 Antimycotic compound DPM1, MYC, ERG28 NPC1 577/4885RAB9A 3568/4885TP53 1155/4885
US-10800762-B2 Compounds which are used in the preparation of the compound of formula (II) CYP11B2, SDHB, SDHA NPC1 267/4885RAB9A 2298/4885TP53 3227/4885
US-20200239453-A1 PROCESS FOR PREPARING A COMPOUND USEFUL TO TREAT MYCOSES ERG28, DPM1, CYP51A1 NPC1 226/4885RAB9A 2224/4885TP53 790/4885
US-10858345-B2 Process for preparing a compound useful to treat mycoses DPM1, CYP51A1, ERG28 NPC1 713/4885RAB9A 1450/4885TP53 1098/4885
US-11661415-B2 Process for preparing a compound useful to treat mycoses DPM1, CYP51A1, ERG28 NPC1 713/4885RAB9A 1450/4885TP53 1098/4885
US-20230295133-A1 PROCESS FOR PREPARING A COMPOUND USEFUL TO TREAT MYCOSES DPM1, CYP51A1, ERG28 NPC1 713/4885RAB9A 1450/4885TP53 1098/4885
US-20210238169-A1 PROCESS FOR PREPARING A COMPOUND OF FORMULA (XIII) CYP2F1, CYP4A11, CYP4F11 NPC1 752/4885RAB9A 1121/4885TP53 4433/4885
US-20170037035-A1 COMPOUND DPM1, MYC, ERG28 NPC1 316/4885RAB9A 3538/4885TP53 1004/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.