SCHEMBL7974992

SCHEMBL7974992

O=C1c2ccccc2C(=O)c2sc(-c3ccccn3)nc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 7/20 1.00
TDO2 P48775 5/20 0.62
MIF P14174 1/20 0.49
GABRA1 P14867 1/20 0.49
KDM4E B2RXH2 5/20 0.47
ALDH1A1 P00352 4/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
TP53 P04637 1/20 0.47
TSHR P16473 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HSD17B10 Q99714 1/20 0.47
MAPT P10636 1/20 0.46
ATM Q13315 1/20 0.46
TGFBR1 P36897 1/20 0.44
KMT2A Q03164 1/20 0.43
GAA P10253 1/20 0.42
APOBEC3G Q9HC16 1/20 0.41

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
SCHEMBL7815259 0.78 IDO1 (0.63) IDO1TDO2ALDH1A1RAB9ATGFBR1
SCHEMBL7808047 0.78 IDO1 (0.79) IDO1TDO2KDM4EALDH1A1KMT2A
SCHEMBL7816954 0.77 IDO1 (1.00) IDO1TDO2KDM4EALDH1A1NPC1
SCHEMBL7805902 0.76 IDO1 (0.63) IDO1TDO2KDM4EALDH1A1NPC1
SCHEMBL7812685 0.74 IDO1 (0.72) IDO1TDO2KDM4EALDH1A1NPC1
SCHEMBL8595445 0.74 IDO1 (0.82) IDO1TDO2KMT2AGAA
SCHEMBL396010 0.73 IDO1 (0.58) IDO1MIFGABRA1KDM4EALDH1A1
SCHEMBL11463722 0.73 IDO1 (0.57) IDO1MIFGABRA1KDM4EALDH1A1
SCHEMBL7805767 0.73 IDO1 (0.71) IDO1TDO2ALDH1A1NPC1RAB9A
SCHEMBL7811800 0.73 IDO1 (0.62) IDO1TDO2KDM4EALDH1A1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10450281-B1 Compounds and methods for treating cancer DANA-FARBER CANCER INSTITUTE, INC. (US) 2019-10-22 US disclosed
US-9725425-B1 Compounds and methods for treating cancer DANA-FARBER CANCER INSTITUTE, INC. (US) 2017-08-08 US disclosed
US-6262095-B1 TREATMENT OF ILLNESS ASSOCIATED WITH AN ALTERATION IN VENOUS FUNCTION AND/OR INFLAMMATORY EDEMA LABORATOIRE INNOTHERA (FR) 2001-07-17 US 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 (1 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-10450281-B1 Compounds and methods for treating cancer USP8, USP2, NEDD8 IDO1 2561/4885TDO2 2554/4885MIF 4463/4885

“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.