SCHEMBL3389181

SCHEMBL3389181

O=C(O)c1cc2ccc(-c3ccccc3)cc2[nH]1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 5/20 0.66
KDM4E B2RXH2 4/20 0.66
HPGD P15428 4/20 0.66
MAPT P10636 1/20 0.66
DAO P14920 1/20 0.66
SRD5A2 P31213 1/20 0.66
RHEB Q15382 1/20 0.56
EIF4A3 P38919 1/20 0.55
ALDH1A1 P00352 4/20 0.53
LMNA P02545 2/20 0.53
GPR35 Q9HC97 2/20 0.51
CASP3 P42574 1/20 0.51
SENP8 Q96LD8 1/20 0.51
SENP7 Q9BQF6 1/20 0.51
SENP6 Q9GZR1 1/20 0.51
KMT2A Q03164 3/20 0.50
MEN1 O00255 2/20 0.50
USP2 O75604 1/20 0.50
SMAD3 P84022 1/20 0.49
FLT3 P36888 1/20 0.49

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
SCHEMBL30071340 0.88 SMAD3 (0.60) HSD17B10KDM4EHPGDMAPTDAO
SCHEMBL20494223 0.88 SMAD3 (0.60) HSD17B10KDM4EHPGDMAPTDAO
SCHEMBL3643396 0.87 SMAD3 (0.55) HSD17B10KDM4EHPGDMAPTDAO
SCHEMBL30071319 0.87 F7 (0.61) HSD17B10KDM4EHPGDMAPTDAO
SCHEMBL3500068 0.87 F7 (0.61) HSD17B10KDM4EHPGDMAPTDAO
SCHEMBL7493915 0.87 KDM4E (0.61) HSD17B10KDM4EHPGDMAPTDAO
SCHEMBL7222628 0.87 PIN1 (0.61) HSD17B10KDM4EHPGDMAPTDAO
SCHEMBL30071390 0.87 KDM4E (0.61) HSD17B10KDM4EHPGDMAPTDAO
SCHEMBL22777743 0.86 KDM4E (0.66) HSD17B10KDM4EHPGDMAPTDAO
SCHEMBL3700465 0.86 KDM4E (0.66) HSD17B10KDM4EHPGDMAPTDAO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240239771-A1 BACTERIAL EFFLUX PUMP INHIBITORS TAXIS PHARMACEUTICALS, INC. 2024-07-18 US disclosed
US-20240239771-A1 BACTERIAL EFFLUX PUMP INHIBITORS TAXIS PHARMACEUTICALS, INC. 2024-07-18 US disclosed
WO-2021243273-A1 BACTERIAL EFFLUX PUMP INHIBITORS TAXIS PHARMACEUTICALS, INC. (US) 2021-12-02 WO disclosed
WO-2021243273-A1 BACTERIAL EFFLUX PUMP INHIBITORS TAXIS PHARMACEUTICALS, INC. (US) 2021-12-02 WO disclosed
US-20100035862-A1 NOVEL AZA-CYCLIC INDOLE-2-CARBOXAMIDES AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2010-02-11 US disclosed
WO-2010003963-A1 USE OF OPIOID ANTAGONISTS FOR TREATING URINARY RETENTION EURO-CELTIQUE S.A. (LU) 2010-01-14 WO disclosed
WO-2009158375-A1 AZA-CYLIC INDOLE- 2 -CARBOXAMIDES AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2009-12-30 WO disclosed
US-6759428-B2 SUCH AS N-((1,2)-2-(((CYANO(CYCLOPROPYL)METHYL)AMINO)CARBONYL) CYCLOHEXYL)-1H-INDOLE-2-CARBOXAMIDE; CATHEPSIN K INHIBITORS ROCHE PALO ALTO LLC 2004-07-06 US disclosed
US-20040077646-A1 Indole nitriles ROCHE PALO ALTO LLC 2004-04-22 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 (3 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-20100035862-A1 NOVEL AZA-CYCLIC INDOLE-2-CARBOXAMIDES AND METHODS OF USE THEREOF IDO2, IDO1, INMT HSD17B10 2072/4885KDM4E 963/4885HPGD 638/4885
US-20040077646-A1 Indole nitriles TPH1, IDO1, NAT1 HSD17B10 2073/4885KDM4E 3071/4885HPGD 1353/4885
US-20240239771-A1 BACTERIAL EFFLUX PUMP INHIBITORS ABCB11, ABCB1, SLC47A1 HSD17B10 489/4885KDM4E 4432/4885HPGD 226/4885

“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.