SCHEMBL20209030

SCHEMBL20209030

Cc1c(N2CCN(C)CC2)ccc2c3c(c(=O)oc12)CNCC3

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MTHFD2 P13995 11/20 0.51
ERN1 O75460 3/20 0.48
MTHFD1 P11586 7/20 0.47
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
GLA P06280 1/20 0.41
GAA P10253 1/20 0.41
HPGD P15428 1/20 0.41
MAOA P21397 1/20 0.41
MAPK1 P28482 1/20 0.41
CASP1 P29466 1/20 0.41
CASP7 P55210 1/20 0.41
HSD17B10 Q99714 1/20 0.41
CCR4 P51679 3/20 0.39
GBA1 P04062 1/20 0.37

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
Hydrochloric Acid SCHEMBL21354084 0.99 MTHFD2 (0.50) MTHFD2ERN1MTHFD1KDM4EALDH1A1
SCHEMBL20209028 0.85 MTHFD2 (0.51) MTHFD2ERN1MTHFD1KDM4EALDH1A1
SCHEMBL20208566 0.85 ERN1 (0.46) MTHFD2ERN1MTHFD1KDM4EALDH1A1
Hydrochloric Acid SCHEMBL21354111 0.84 MTHFD2 (0.51) MTHFD2ERN1MTHFD1KDM4EALDH1A1
Hydrochloric Acid SCHEMBL21354110 0.84 ERN1 (0.45) MTHFD2ERN1MTHFD1KDM4EALDH1A1
SCHEMBL24691316 0.84 MTHFD2 (0.48) MTHFD2ERN1MTHFD1KDM4EALDH1A1
SCHEMBL20208629 0.84 MTHFD2 (0.48) MTHFD2ERN1MTHFD1KDM4EALDH1A1
SCHEMBL20208628 0.84 MTHFD2 (0.48) MTHFD2ERN1MTHFD1KDM4EALDH1A1
SCHEMBL20209040 0.83 ERN1 (0.41) MTHFD2ERN1MTHFD1KDM4EALDH1A1
SCHEMBL20208688 0.83 ERN1 (0.44) MTHFD2ERN1MTHFD1KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3546463-B1 SULFONAMIDE DERIVATIVE HAVING COUMARIN SKELETON DAIICHI SANKYO CO LTD (JP) 2022-12-07 EP disclosed
US-10774087-B2 Sulfonamide derivative having coumarin skeleton DAIICHI SANKYO COMPANY, LIMITED (JP) 2020-09-15 US disclosed
EP-3546463-A1 SULFONAMIDE DERIVATIVE HAVING COUMARIN SKELETON Daiichi Sankyo Co., Ltd. (JP) 2019-10-02 EP disclosed
US-20190284198-A1 SULFONAMIDE DERIVATIVE HAVING COUMARIN SKELETON DAIICHI SANKYO COMPANY, LIMITED (JP) 2019-09-19 US disclosed
WO-2018097162-A1 SULFONAMIDE DERIVATIVE HAVING COUMARIN SKELETON 第一三共株式会社 2018-05-31 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 (2 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-20190284198-A1 SULFONAMIDE DERIVATIVE HAVING COUMARIN SKELETON MTHFD1, MTHFD2, DHFR MTHFD2 2/4885ERN1 2490/4885MTHFD1 1/4885
US-10774087-B2 Sulfonamide derivative having coumarin skeleton MTHFD1, MTHFD2, DHFR MTHFD2 2/4885ERN1 2490/4885MTHFD1 1/4885

“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.