SCHEMBL3335676

SCHEMBL3335676

COC(=O)c1cccc(-c2nc3ccccc3[nH]2)c1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.74
SMN1; SMN2 Q16637 8/20 0.74
NPC1 O15118 6/20 0.74
RAB9A P51151 5/20 0.74
ALDH1A1 P00352 5/20 0.74
HPGD P15428 3/20 0.74
LMNA P02545 2/20 0.74
PKM P14618 1/20 0.74
NFKB1 P19838 1/20 0.74
NFKB2 Q00653 1/20 0.74
RELA Q04206 1/20 0.74
COMT P21964 2/20 0.62
MMP2 P08253 2/20 0.62
MMP9 P14780 2/20 0.62
MMP8 P22894 2/20 0.62
MMP13 P45452 2/20 0.62
KMT2A Q03164 7/20 0.62
MEN1 O00255 6/20 0.62
MAPT P10636 4/20 0.60
POLB P06746 3/20 0.60

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
SCHEMBL28370796 0.89 KDM4E (0.78) KDM4ESMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL29906196 0.89 KDM4E (0.78) KDM4ESMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL27039910 0.88 KDM4E (0.61) KDM4ESMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL16148370 0.88 KDM4E (0.72) KDM4ESMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL16147815 0.88 KMT2A (0.69) KDM4ESMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL14930221 0.85 NPC1 (0.65) KDM4ESMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL17672255 0.85 KDM4E (0.77) KDM4ESMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL2617471 0.85 NPC1 (1.00) KDM4ESMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL12834035 0.84 KDM4E (0.73) KDM4ESMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL17498773 0.84 MAPT (0.85) KDM4ESMN1; SMN2NPC1RAB9AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113166073-B Benzoheterocyclic compound and composition for preventing or treating cancer disease containing the same as active ingredient 启明大学校 产学协力团 2025-03-11 CN disclosed
US-20210387951-A1 BENZO-HETEROCYCLIC COMPOUND AND COMPOSITION FOR PREVENTING OR TREATING CANCER DISEASE, CONTAINING SAME AS ACTIVE INGREDIENT INDUSTRY ACADEMIC COOPERATION FOUNDATION KEIMYUNG UNIVERSITY (KR) 2021-12-16 US disclosed
CN-113166073-A Benzoheterocyclic compounds and compositions for preventing or treating cancer diseases containing the same as active ingredient 启明大学校产学协力团 2021-07-23 CN disclosed
US-8198307-B2 Imidazole derivatives having aryl piperidine substituent, method for preparation thereof and pharmaceutical compositions containing same KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2012-06-12 US disclosed
US-20100145054-A1 IMIDAZOLE DERIVATIVES HAVING ARYL PIPERIDINE SUBSTITUENT, METHOD FOR PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2010-06-10 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 (2 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-20210387951-A1 BENZO-HETEROCYCLIC COMPOUND AND COMPOSITION FOR PREVENTING OR TREATING CANCER DISEASE, CONTAINING SAME AS ACTIVE INGREDIENT VHL, BRCA1, BRD1 KDM4E 794/4885SMN1; SMN2 888/4885NPC1 827/4885
US-20100145054-A1 IMIDAZOLE DERIVATIVES HAVING ARYL PIPERIDINE SUBSTITUENT, METHOD FOR PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME TYR, MCHR1, MCHR2 KDM4E 220/4885SMN1; SMN2 1895/4885NPC1 223/4885

“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.