SCHEMBL8567210

SCHEMBL8567210

N[C@@H]1CNc2ccccc2C1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PLAU P00749 1/20 0.45
MTNR1A P48039 1/20 0.44
MTNR1B P49286 1/20 0.44
EPHX2 P34913 1/20 0.42
SIGMAR1 Q99720 2/20 0.42
ALOX15 P16050 1/20 0.41
HSD17B10 Q99714 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
DRD2 P14416 2/20 0.38
DRD3 P35462 2/20 0.38
BRD4 O60885 1/20 0.38
CREBBP Q92793 1/20 0.38

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
SCHEMBL30576492 1.00 PLAU (0.45) PLAUMTNR1AMTNR1BEPHX2SIGMAR1
SCHEMBL2030277 1.00 PLAU (0.45) PLAUMTNR1AMTNR1BEPHX2SIGMAR1
SCHEMBL3825586 1.00 PLAU (0.45) PLAUMTNR1AMTNR1BEPHX2SIGMAR1
SCHEMBL7507376 0.80 PLAU (0.52) PLAUMTNR1AMTNR1BSIGMAR1ALOX15
SCHEMBL9024447 0.80 PLAU (0.52) PLAUALOX15HSD17B10MEN1KMT2A
SCHEMBL4703041 0.80 PLAU (0.52) PLAUALOX15HSD17B10MEN1KMT2A
SCHEMBL29350964 0.80 PLAU (0.52) PLAUALOX15HSD17B10MEN1KMT2A
SCHEMBL3913695 0.80 KDM1A (0.38) PLAUALOX15HSD17B10MEN1KMT2A
SCHEMBL9691688 0.77 MAPT (0.41) PLAUALOX15HSD17B10MEN1KMT2A
SCHEMBL4014104 0.75 MTNR1A (0.44) MTNR1AMTNR1BEPHX2ALOX15HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220144839-A1 INDOLE AHR INHIBITORS AND USES THEREOF PAHR THERAPEUTICS, INC. 2022-05-12 US disclosed
US-20220144839-A1 INDOLE AHR INHIBITORS AND USES THEREOF PAHR THERAPEUTICS, INC. 2022-05-12 US disclosed
WO-2021249417-A1 HETEROCYCLIC COMPOUND AND DERIVATIVE THEREOF 赛诺哈勃药业(成都)有限公司 2021-12-16 WO disclosed
CN-113272305-A Indole AHR inhibitors and uses thereof 医肯纳肿瘤学公司 2021-08-17 CN disclosed
WO-2020081636-A1 INDOLE AHR INHIBITORS AND USES THEREOF Ikena Oncology, Inc. (US) 2020-04-23 WO disclosed
US-5719141-A HYPOTENSIVE AGENTS NOVARTIS CORPORATION (US) 1998-02-17 US disclosed
EP-0702004-A2 2,9-diamino- and 2-amino-8-carbamoyl-4-hydroxy-alkanoic acid amid derivatives CIBA-GEIGY AG (CH) 1996-03-20 EP 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-20220144839-A1 INDOLE AHR INHIBITORS AND USES THEREOF AHR, ARNT, IDO1 PLAU 4799/4885MTNR1A 16/4885MTNR1B 21/4885

“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.