Sugi Predict

Sugi Predict / Compounds / SCHEMBL17801122

SCHEMBL17801122

SCHEMBL17801122

O=C(Nc1ccc(F)cc1)c1ccc(N2CCNCC2)cc1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 6/20 0.75
▸ RAB9A P51151 6/20 0.75
▸ SMN1; SMN2 Q16637 4/20 0.75
▸ TP53 P04637 4/20 0.75
▸ MAPK1 P28482 2/20 0.75
▸ ALOX15 P16050 1/20 0.75
▸ HTT P42858 1/20 0.75
▸ KMT2A Q03164 3/20 0.60
▸ MEN1 O00255 2/20 0.60
▸ MAOB P27338 1/20 0.59
▸ MAPT P10636 7/20 0.58
▸ LMNA P02545 2/20 0.57
▸ USP2 O75604 1/20 0.57
▸ KDM4E B2RXH2 1/20 0.57
▸ MCL1 Q07820 1/20 0.57
▸ L3MBTL1 Q9Y468 1/20 0.57
▸ PTPN1 P18031 1/20 0.56
▸ HDAC8 Q9BY41 1/20 0.56
▸ HDAC6 Q9UBN7 1/20 0.56
▸ TSHR P16473 1/20 0.55

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
SCHEMBL1663452 0.96 NPC1 (0.70) NPC1RAB9ASMN1; SMN2TP53MAPK1
SCHEMBL24891825 0.93 RAB9A (0.64) NPC1RAB9ASMN1; SMN2TP53MAPK1
SCHEMBL8769785 0.89 RAB9A (0.59) NPC1RAB9ASMN1; SMN2TP53MAPK1
SCHEMBL1663115 0.89 ALDH1A1 (0.66) NPC1RAB9ASMN1; SMN2TP53MAPK1
Trifluoroacetic Acid SCHEMBL29803762 0.86 RAB9A (0.56) NPC1RAB9ASMN1; SMN2TP53MAPK1
SCHEMBL1999202 0.86 MAPKAPK2 (0.65) NPC1RAB9ASMN1; SMN2TP53MAPK1
SCHEMBL3142490 0.86 RAB9A (1.00) NPC1RAB9ASMN1; SMN2TP53MAPK1
SCHEMBL18470910 0.86 RAB9A (1.00) NPC1RAB9ASMN1; SMN2TP53MAPK1
SCHEMBL5084566 0.86 USP2 (0.66) NPC1RAB9ASMN1; SMN2TP53MAPK1
SCHEMBL532678 0.86 MAPT (0.74) NPC1RAB9ASMN1; SMN2TP53HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12269814-B2 Process for preparing a compound useful to treat mycoses PULMOCIDE LIMITED (GB) 2025-04-08 — — US disclosed
CN-114751874-B 1-Benzyl-4-ethylpiperazine derivatives as TRPV4-KCa2.3 coupling promoters and uses thereof 江南大学 2025-01-24 — — CN disclosed
CN-112375073-B Antifungal compounds 普尔莫赛德有限公司 2024-04-16 — — CN disclosed
US-20230295133-A1 PROCESS FOR PREPARING A COMPOUND USEFUL TO TREAT MYCOSES PULMOCIDE LIMITED (GB) 2023-09-21 — — US disclosed
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-11661415-B2 Process for preparing a compound useful to treat mycoses PULMOCIDE LIMITED (GB) 2023-05-30 — — US disclosed
US-11661415-B2 Process for preparing a compound useful to treat mycoses PULMOCIDE LIMITED (GB) 2023-05-30 — — US disclosed
CN-114751874-A 1-benzyl-4-ethylpiperazine derivatives as TRPV4-KCa2.3 coupling promoting agents and application thereof 江南大学 2022-07-15 — — CN disclosed
US-20210238169-A1 PROCESS FOR PREPARING A COMPOUND OF FORMULA (XIII) PULMOCIDE LIMITED (GB) 2021-08-05 — — 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
US-20170037035-A1 COMPOUND PULMOCIDE LIMITED (GB) 2017-02-09 — — US disclosed
US-20170037035-A1 COMPOUND PULMOCIDE LIMITED (GB) 2017-02-09 — — US disclosed
WO-2016087878-A1 ANTIMYCOTIC COMPOUND PULMOCIDE LIMITED (GB) 2016-06-09 — — WO disclosed
WO-2016087878-A1 ANTIMYCOTIC COMPOUND PULMOCIDE LIMITED (GB) 2016-06-09 — — WO disclosed
WO-2016087880-A1 ANTIMYCOTIC COMPOUND PULMOCIDE LIMITED (GB) 2016-06-09 — — WO disclosed
WO-2016087880-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 (6 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 3472/4885SMN1; SMN2 2778/4885
US-11661415-B2 Process for preparing a compound useful to treat mycoses DPM1, CYP51A1, ERG28 NPC1 713/4885RAB9A 1450/4885SMN1; SMN2 3696/4885
US-20230295133-A1 PROCESS FOR PREPARING A COMPOUND USEFUL TO TREAT MYCOSES DPM1, CYP51A1, ERG28 NPC1 713/4885RAB9A 1450/4885SMN1; SMN2 3696/4885
US-20210238169-A1 PROCESS FOR PREPARING A COMPOUND OF FORMULA (XIII) CYP2F1, CYP4A11, CYP4F11 NPC1 752/4885RAB9A 1121/4885SMN1; SMN2 1468/4885
US-20170037035-A1 COMPOUND DPM1, MYC, ERG28 NPC1 316/4885RAB9A 3538/4885SMN1; SMN2 2575/4885
US-12269814-B2 Process for preparing a compound useful to treat mycoses C1R, CBR1, CBR3 NPC1 223/4885RAB9A 1340/4885SMN1; SMN2 3891/4885

“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.