SCHEMBL8998960

SCHEMBL8998960

CN(C)C(=O)CCc1c[nH]c2ccccc12

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 2/20 0.71
ALDH1A1 P00352 2/20 0.63
MAPT P10636 3/20 0.61
GAA P10253 3/20 0.61
SMN1; SMN2 Q16637 2/20 0.61
NPC1 O15118 1/20 0.61
HTR1A P08908 2/20 0.60
HTR2A P28223 2/20 0.60
HTR2C P28335 2/20 0.60
HTR2B P41595 2/20 0.60
CYP1A2 P05177 2/20 0.59
CYP2C19 P33261 2/20 0.59
CCND1 P24385 1/20 0.59
ADRA2A P08913 1/20 0.59
ADRA2B P18089 1/20 0.59
ADRA2C P18825 1/20 0.59
MAOA P21397 1/20 0.59
ADRA1D P25100 1/20 0.59
HTR1B P28222 1/20 0.59
CHRNB4 P30926 1/20 0.59

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
SCHEMBL30579374 1.00 CDK4 (0.71) CDK4ALDH1A1MAPTGAASMN1; SMN2
SCHEMBL9854721 0.86 CDK4 (0.65) CDK4ALDH1A1MAPTGAASMN1; SMN2
SCHEMBL10674520 0.85 ALDH1A1 (0.85) CDK4ALDH1A1MAPTGAASMN1; SMN2
SCHEMBL1852400 0.84 PKM (0.64) CDK4ALDH1A1MAPTSMN1; SMN2NPC1
SCHEMBL29992703 0.84 PKM (0.64) CDK4ALDH1A1MAPTSMN1; SMN2NPC1
SCHEMBL23732699 0.84 CDK4 (0.67) CDK4ALDH1A1MAPTGAASMN1; SMN2
SCHEMBL1250315 0.83 MAPT (0.66) CDK4ALDH1A1MAPTGAASMN1; SMN2
SCHEMBL29611317 0.83 MAPT (0.66) CDK4ALDH1A1MAPTGAASMN1; SMN2
SCHEMBL8697853 0.82 CDK4 (0.63) CDK4ALDH1A1MAPTGAASMN1; SMN2
Indolylpropionic Acid SCHEMBL195405 0.81 MAPT (0.68) CDK4ALDH1A1MAPTGAASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11358969-B2 Indole AHR inhibitors and uses thereof Ikena Oncology, Inc. (US) 2022-06-14 US disclosed
US-20200331917-A1 INDOLE AHR INHIBITORS AND USES THEREOF PAHR THERAPEUTICS, INC. 2020-10-22 US disclosed
US-10570138-B2 Indole AHR inhibitors and uses thereof KYN THERAPEUTICS (US) 2020-02-25 US disclosed
US-5556874-A ENZYME INHIBITORS AS ANTICARCINOGENIC AGENTS WARNER LAMBERT COMPANY (US) 1996-09-17 US disclosed
US-5464861-A Anticarcinogenic agents WARNER-LAMBERT (US) 1995-11-07 US disclosed
EP-0654024-A1 2-THIOINDOLES (SELENOINDOLES) AND RELATED DISULFIDES (SELENIDES) WHICH INHIBIT PROTEIN TYROSINE KINASES AND WHICH HAVE ANTITUMOR PROPERTIES WARNER-LAMBERT COMPANY (US) 1995-05-24 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 (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-10570138-B2 Indole AHR inhibitors and uses thereof AHR, ARNT, IDO1 CDK4 2414/4885ALDH1A1 316/4885MAPT 4171/4885
US-11358969-B2 Indole AHR inhibitors and uses thereof AHR, ARNT, IDO1 CDK4 2414/4885ALDH1A1 316/4885MAPT 4171/4885
US-20200331917-A1 INDOLE AHR INHIBITORS AND USES THEREOF AHR, ARNT, IDO1 CDK4 2414/4885ALDH1A1 316/4885MAPT 4171/4885

“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.