SCHEMBL17801101

SCHEMBL17801101

Cc1cc(N2CCN(c3ccc(C(=O)O)cc3)CC2)ccc1O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.54
KDM4E B2RXH2 3/20 0.51
CHEK1 O14757 2/20 0.50
ALDH1A1 P00352 3/20 0.49
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
MAPT P10636 2/20 0.49
HPGD P15428 2/20 0.49
POLB P06746 2/20 0.49
APEX1 P27695 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
MYC P01106 2/20 0.48
GAA P10253 2/20 0.47
TSHR P16473 1/20 0.47
KMO O15229 1/20 0.44
HSD17B10 Q99714 1/20 0.44
PKM P14618 1/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
PRKDC P78527 2/20 0.42

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
SCHEMBL21499221 0.84 ALDH1A1 (0.57) KDM4EALDH1A1MEN1KMT2AMAPT
SCHEMBL17801223 0.83 MAPT (0.51) KDM4EALDH1A1MAPTGAATSHR
SCHEMBL18470907 0.82 TDP1 (0.52) USP2ALDH1A1MEN1KMT2AMAPT
SCHEMBL30874176 0.81 HTT (0.55) USP2KDM4EALDH1A1MEN1KMT2A
SCHEMBL17801210 0.81 HTT (0.55) USP2KDM4EALDH1A1MEN1KMT2A
SCHEMBL23610369 0.81 KDM4E (0.71) USP2KDM4ECHEK1ALDH1A1MEN1
SCHEMBL17737082 0.81 KDM4E (0.71) USP2KDM4ECHEK1ALDH1A1MEN1
SCHEMBL18470911 0.80 GPR119 (0.43) KDM4EALDH1A1MEN1KMT2AMAPT
SCHEMBL27515415 0.78 CA12 (0.64) USP2KDM4ECHEK1ALDH1A1MAPT
SCHEMBL10486194 0.78 HPGD (0.51) KDM4EALDH1A1MEN1KMT2AMAPT

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20200399253-A1 COMPOUNDS WHICH ARE USED IN THE PREPARATION OF THE COMPOUND OF FORMULA (I) PULMOCIDE LIMITED (GB) 2020-12-24 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
EP-3227277-B1 ANTIMYCOTIC COMPOUND PULMOCIDE LTD (GB) 2020-02-05 EP disclosed
US-20200031809-A1 COMPOUNDS WHICH ARE USED IN THE PREPARATION OF THE COMPOUND OF FORMULA (II) PULMOCIDE LIMITED (GB) 2020-01-30 US disclosed
US-20190023696-A1 COMPOUND PULMOCIDE LIMITED (GB) 2019-01-24 US disclosed
US-10093659-B2 Compound useful to treat mycoses PLUMOCIDE LIMITED (GB) 2018-10-09 US 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-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

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

For each of this compound's patents that has machine-readable text (8 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-20190023696-A1 COMPOUND DPM1, MYC, ERG28 USP2 3678/4885KDM4E 1212/4885CHEK1 4427/4885
US-20200031809-A1 COMPOUNDS WHICH ARE USED IN THE PREPARATION OF THE COMPOUND OF FORMULA (II) CYP11B2, SDHB, SDHA USP2 3468/4885KDM4E 2947/4885CHEK1 3904/4885
US-10093659-B2 Compound useful to treat mycoses DPM1, MYC, ERG28 USP2 4183/4885KDM4E 2481/4885CHEK1 4349/4885
US-20200399253-A1 COMPOUNDS WHICH ARE USED IN THE PREPARATION OF THE COMPOUND OF FORMULA (I) CYP11B2, CYP11B1, CYP21A2 USP2 4265/4885KDM4E 3111/4885CHEK1 4050/4885
US-11008307-B2 Compounds which are used in the preparation of the compound of formula (I) CYP11B2, CYP11B1, CYP21A2 USP2 4265/4885KDM4E 3111/4885CHEK1 4050/4885
US-10800762-B2 Compounds which are used in the preparation of the compound of formula (II) CYP11B2, SDHB, SDHA USP2 3468/4885KDM4E 2947/4885CHEK1 3904/4885
US-20210238169-A1 PROCESS FOR PREPARING A COMPOUND OF FORMULA (XIII) CYP2F1, CYP4A11, CYP4F11 USP2 2108/4885KDM4E 2229/4885CHEK1 4415/4885
US-20170037035-A1 COMPOUND DPM1, MYC, ERG28 USP2 3678/4885KDM4E 1212/4885CHEK1 4427/4885

“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.