SCHEMBL875697

SCHEMBL875697

COc1ccc2nc(-c3ccc(C)cc3)cc(C)c2c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 6/20 0.58
▸ SMN1; SMN2 Q16637 3/20 0.58
▸ MEN1 O00255 3/20 0.58
▸ KMT2A Q03164 3/20 0.58
▸ MAPT P10636 5/20 0.56
▸ POLB P06746 1/20 0.56
▸ PLA2G2A P14555 2/20 0.56
▸ ACP1 P24666 1/20 0.54
▸ TP53 P04637 1/20 0.52
▸ ALDH1A1 P00352 3/20 0.51
▸ HPGD P15428 2/20 0.51
▸ ACACA Q13085 1/20 0.51
▸ LMNA P02545 1/20 0.51
▸ HTT P42858 1/20 0.51
▸ EGFR P00533 1/20 0.51
▸ KDR P35968 1/20 0.51
▸ AURKA O14965 1/20 0.49
▸ AURKB Q96GD4 1/20 0.49
▸ PKM P14618 1/20 0.49
▸ NPC1 O15118 2/20 0.48

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
SCHEMBL10263305 0.89 KDM4E (0.73) KDM4ESMN1; SMN2MEN1KMT2AMAPT
SCHEMBL28598372 0.85 KDM4E (0.56) KDM4ESMN1; SMN2MEN1KMT2AMAPT
SCHEMBL26074120 0.81 PLA2G2A (0.64) KDM4ESMN1; SMN2MEN1KMT2AMAPT
SCHEMBL22436171 0.80 MAPT (0.73) KDM4ESMN1; SMN2MEN1KMT2AMAPT
SCHEMBL13350452 0.79 KDM4E (0.74) KDM4ESMN1; SMN2MEN1KMT2AMAPT
SCHEMBL14500755 0.78 NPC1 (0.59) KDM4ESMN1; SMN2MEN1KMT2AMAPT
SCHEMBL14264120 0.78 ACACA (0.69) KDM4ESMN1; SMN2MEN1KMT2AMAPT
SCHEMBL14264119 0.77 ACACA (0.72) KDM4ESMN1; SMN2MEN1KMT2AMAPT
SCHEMBL8103092 0.77 POLB (0.66) KDM4ESMN1; SMN2MEN1KMT2AMAPT
SCHEMBL4496204 0.77 KDM4E (0.65) KDM4ESMN1; SMN2MEN1KMT2AMAPT

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 75 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2727915-B1 Synthesis of deuterated catechols and benzo[d][1,3]dioxoles and derivatives thereof CONCERT PHARMACEUTICALS INC (US) 2016-04-13 — — EP claimed
EP-2727915-A1 Synthesis of deuterated catechols and benzo[d][1,3]dioxoles and derivatives thereof Concert Pharmaceuticals Inc. (US) 2014-05-07 — — EP claimed
US-20240166666-A1 ANTITUMORAL COMPOUNDS PHARMA MAR SA (ES) 2024-05-23 — — US disclosed
US-20240131180-A1 DRUG ANTIBODY CONJUGATES PHARMA MAR, S.A. (ES) 2024-04-25 — — US disclosed
EP-4356736-A2 SYNTHESIS OF BORONATE SALTS Melinta Therapeutics, Inc. (US) 2024-04-24 — — EP disclosed
EP-4025253-B1 DRUG ANTIBODY CONJUGATES PHARMA MAR SA (ES) 2024-03-20 — — EP disclosed
EP-3615544-B9 ANTITUMORAL COMPOUNDS PHARMA MAR SA (ES) 2024-01-03 — — EP disclosed
EP-4101855-B9 ANTITUMORAL COMPOUNDS PHARMA MAR SA (ES) 2024-01-03 — — EP disclosed
EP-3604316-B1 SYNTHESIS OF BORONATE SALTS MELINTA THERAPEUTICS INC (US) 2023-12-06 — — EP disclosed
EP-4101855-B1 ANTITUMORAL COMPOUNDS PHARMA MAR SA (ES) 2023-08-02 — — EP disclosed
US-11713325-B2 Antitumoral compounds PHARMA MAR, S.A. (ES) 2023-08-01 — — US disclosed
US-20110269957-A1 SYNTHESIS OF INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-11-03 — — US disclosed
EP-2323994-A1 SYNTHESIS OF INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 Boehringer Ingelheim International GmbH (DE) 2011-05-25 — — EP disclosed
US-20100256363-A1 SYNTHESIS OF INHIBITORS OF 11ß-HYDROXYSTEROID DEHYDROGENASE TYPE 1 VITAE PHARMACEUTICALS, INC. 2010-10-07 — — US disclosed
EP-2200997-A1 SYNTHESIS OF DEUTERATED CATECHOLS AND BENZOÝD¨Ý1,3¨DIOXOLES AND DERIVATIVES THEREOF Concert Pharmaceuticals Inc. (US) 2010-06-30 — — EP disclosed
EP-2183229-A1 SYNTHESIS OF INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 Vitae Pharmaceuticals, Inc. (US) 2010-05-12 — — EP disclosed
WO-2010010150-A1 SYNTHESIS OF INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-01-28 — — WO disclosed
US-20090143432-A1 Synthesis of deuterated catechols and benzo[D][1,3]dioxoles and derivatives thereof CONCERT PHARMACEUTICALS, INC. (US) 2009-06-04 — — US disclosed
WO-2009035652-A1 SYNTHESIS OF DEUTERATED CATECHOLS AND BENZO[D][1,3] DIOXOLES AND DERIVATIVES THEREOF CONCERT PHARMACEUTICALS, INC. (US) 2009-03-19 — — WO disclosed
WO-2009017671-A1 SYNTHESIS OF INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 VITAE PHARMACEUTICALS, INC. (US) 2009-02-05 — — WO 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 (6 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-20110269957-A1 SYNTHESIS OF INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 HSD11B1, HSD17B1, HSD11B2 KDM4E 3324/4885SMN1; SMN2 2728/4885MEN1 1622/4885
US-20240131180-A1 DRUG ANTIBODY CONJUGATES STT3B, STT3A, TTL KDM4E 2083/4885SMN1; SMN2 3089/4885MEN1 3189/4885
US-20100256363-A1 SYNTHESIS OF INHIBITORS OF 11ß-HYDROXYSTEROID DEHYDROGENASE TYPE 1 HSD11B1, HSD11B2, HSD17B1 KDM4E 3505/4885SMN1; SMN2 2752/4885MEN1 1688/4885
US-20090143432-A1 Synthesis of deuterated catechols and benzo[D][1,3]dioxoles and derivatives thereof COMT, DRD2, DRD3 KDM4E 755/4885SMN1; SMN2 4493/4885MEN1 2179/4885
US-20240166666-A1 ANTITUMORAL COMPOUNDS TP53, TOP1, MCL1 KDM4E 3931/4885SMN1; SMN2 2847/4885MEN1 246/4885
US-11713325-B2 Antitumoral compounds TP53, TOP1, MCL1 KDM4E 3931/4885SMN1; SMN2 2847/4885MEN1 246/4885

“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.

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