SCHEMBL17779197

SCHEMBL17779197

NC(=O)c1cc(N)c2ccccc2c1O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.55
HSD17B10 Q99714 4/20 0.48
HPGD P15428 3/20 0.48
TSHR P16473 2/20 0.48
CYP2C9 P11712 2/20 0.48
THRB P10828 1/20 0.48
ALOX12 P18054 1/20 0.48
ATIC P31939 1/20 0.48
KDM4E B2RXH2 4/20 0.47
MAPT P10636 3/20 0.47
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
MCL1 Q07820 2/20 0.47
NSD2 O96028 1/20 0.47
POLB P06746 1/20 0.47
ALDH1A1 P00352 4/20 0.47
IKBKB O14920 2/20 0.46
HTT P42858 1/20 0.46
GRK6 P43250 1/20 0.45
HMGB1 P09429 1/20 0.44

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
SCHEMBL12818517 0.86 HSD17B10 (0.67) PKMHSD17B10HPGDTSHRCYP2C9
SCHEMBL27336932 0.82 IKBKB (0.44) PKMHSD17B10HPGDTSHRKDM4E
SCHEMBL6695828 0.82 THRB (0.71) PKMHSD17B10HPGDTSHRCYP2C9
SCHEMBL5674154 0.81 ALDH1A1 (0.48) PKMHSD17B10HPGDTSHRTHRB
SCHEMBL12193742 0.80 PKM (0.51) PKMHSD17B10HPGDTSHRCYP2C9
SCHEMBL11854803 0.79 HSD17B10 (0.53) PKMHSD17B10HPGDTSHRCYP2C9
Hydrochloric Acid SCHEMBL10617777 0.79 PKM (0.50) PKMHSD17B10HPGDTSHRCYP2C9
SCHEMBL14432590 0.78 KDM4E (0.73) PKMHSD17B10HPGDTSHRCYP2C9
SCHEMBL19423432 0.78 HSD17B10 (0.47) PKMHSD17B10HPGDTSHRCYP2C9
SCHEMBL7113640 0.78 PADI4 (0.43) PKMHSD17B10HPGDTSHRTHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160143826-A1 PROCESS FOR DYEING IN THE PRESENCE OF OXIDATION BASES COMPRISING AT LEAST ONE SULFONIC, SULFONAMIDE, SULFONE, AMID OR ACID GROUP AND A METAL CATALYST, DEVICE AND READY-TO-USE COMPOSITION L'OREAL (FR) 2016-05-26 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-20160143826-A1 PROCESS FOR DYEING IN THE PRESENCE OF OXIDATION BASES COMPRISING AT LEAST ONE SULFONIC, SULFONAMIDE, SULFONE, AMID OR ACID GROUP AND A METAL CATALYST, DEVICE AND READY-TO-USE COMPOSITION KRT18, ARSA, SQOR PKM 270/4885HSD17B10 529/4885HPGD 588/4885

“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.