SCHEMBL21750817

SCHEMBL21750817

CN1c2ccc(NC(=O)Nc3ccc(N)cc3)cc2C(C)(C)C(=O)C1(C)C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HSPA9 P38646 12/20 1.00
MAPT P10636 3/20 0.46
RAB9A P51151 1/20 0.46
FSHR P23945 1/20 0.41
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
KDM4A O75164 1/20 0.38
POLB P06746 1/20 0.38
THRB P10828 1/20 0.38
RECQL P46063 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MAPK14 Q16539 2/20 0.38
HTT P42858 1/20 0.37

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
SCHEMBL21750760 0.86 HSPA9 (1.00) HSPA9MAPTRAB9AMEN1KMT2A
SCHEMBL21750784 0.85 HSPA9 (1.00) HSPA9
SCHEMBL21750674 0.82 HSPA9 (1.00) HSPA9MAPTMEN1KMT2APOLB
SCHEMBL21750723 0.80 HSPA9 (0.65) HSPA9MAPTFSHRMEN1KMT2A
SCHEMBL21750653 0.75 HSPA9 (1.00) HSPA9MAPTCA1CA2MEN1
SCHEMBL21750774 0.72 HSPA9 (1.00) HSPA9MAPT
SCHEMBL21750759 0.68 HSPA9 (0.51) HSPA9MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL8772924 0.68 RAB9A (1.00) MAPTRAB9ACA12CA1CA2
SCHEMBL2492094 0.64 MAPT (0.57) HSPA9MAPTMEN1KMT2AKDM4A
SCHEMBL26722685 0.64 RARA (0.61) HSPA9MAPTRAB9AFSHRCA12

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-10947198-B2 Chroman-substituted, tetrahydroquinoline-substituted and thiochroman-substituted heteroarotinoids as anti-cancer agents THE BOARD OF REGENTS FOR OKLAHOMA STATE UNIVERSITY (US) 2021-03-16 US claimed
US-20200062711-A1 CHROMAN-SUBSTITUTED, TETRAHYDROQUINOLINE-SUBSTITUTED AND THIOCHROMAN-SUBSTITUTED HETEROAROTINOIDS AS ANTI-CANCER AGENTS THE BOARD OF REGENTS FOR OKLAHOMA STATE UNIVERSITY 2020-02-27 US claimed
US-11993573-B2 Chromane-substituted, tetrahydroquinoline-substituted and thiochromane-substituted heteroarotinoids as anti-cancer agents THE BOARD OF REGENTS FOR OKLAHOMA STATE UNIVERSITY (US) 2024-05-28 US disclosed
US-20210163415-A1 CHROMAN-SUBSTITUTED, TETRAHYDROQUINOLINE-SUBSTITUTED AND THIOCHROMAN-SUBSTITUTED HETEROAROTINOIDS AS ANTI-CANCER AGENTS THE BOARD OF REGENTS FOR OKLAHOMA STATE UNIVERSITY (US) 2021-06-03 US disclosed
US-10947198-B2 Chroman-substituted, tetrahydroquinoline-substituted and thiochroman-substituted heteroarotinoids as anti-cancer agents THE BOARD OF REGENTS FOR OKLAHOMA STATE UNIVERSITY (US) 2021-03-16 US disclosed
US-20200062711-A1 CHROMAN-SUBSTITUTED, TETRAHYDROQUINOLINE-SUBSTITUTED AND THIOCHROMAN-SUBSTITUTED HETEROAROTINOIDS AS ANTI-CANCER AGENTS THE BOARD OF REGENTS FOR OKLAHOMA STATE UNIVERSITY 2020-02-27 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 (4 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-20210163415-A1 CHROMAN-SUBSTITUTED, TETRAHYDROQUINOLINE-SUBSTITUTED AND THIOCHROMAN-SUBSTITUTED HETEROAROTINOIDS AS ANTI-CANCER AGENTS HCCS, CDYL, XPOT HSPA9 2213/4885MAPT 4035/4885RAB9A 4375/4885
US-10947198-B2 Chroman-substituted, tetrahydroquinoline-substituted and thiochroman-substituted heteroarotinoids as anti-cancer agents HCCS, CDYL, XPOT HSPA9 2213/4885MAPT 4035/4885RAB9A 4375/4885
US-11993573-B2 Chromane-substituted, tetrahydroquinoline-substituted and thiochromane-substituted heteroarotinoids as anti-cancer agents HCCS, CDYL, CDYL2 HSPA9 3140/4885MAPT 4052/4885RAB9A 4482/4885
US-20200062711-A1 CHROMAN-SUBSTITUTED, TETRAHYDROQUINOLINE-SUBSTITUTED AND THIOCHROMAN-SUBSTITUTED HETEROAROTINOIDS AS ANTI-CANCER AGENTS HCCS, CDYL, XPOT HSPA9 2213/4885MAPT 4035/4885RAB9A 4375/4885

“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.