SCHEMBL6002946

SCHEMBL6002946

COc1ccc2[nH]ccc(=O)c2c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.58
HPGD P15428 4/20 0.58
KDM4E B2RXH2 4/20 0.54
RAB9A P51151 3/20 0.54
NPC1 O15118 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
MAPT P10636 2/20 0.53
TSHR P16473 1/20 0.53
GFER P55789 1/20 0.53
HSD17B10 Q99714 1/20 0.53
POLB P06746 1/20 0.53
MAPK1 P28482 1/20 0.53
CYP1A2 P05177 1/20 0.53
CYP2C19 P33261 1/20 0.53
GPR84 Q9NQS5 1/20 0.51
LMNA P02545 2/20 0.51
MITF O75030 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51

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
SCHEMBL3743274 0.86 ALDH1A1 (0.58) ALDH1A1HPGDKDM4ESMN1; SMN2MEN1
SCHEMBL7290719 0.80 HTR1D (0.52) ALDH1A1KDM4EPOLBLMNA
SCHEMBL7283686 0.79 CYP1A1 (0.58) ALDH1A1RAB9AMEN1KMT2AMAPT
SCHEMBL7283674 0.79 CYP1A1 (0.58) ALDH1A1RAB9AMEN1KMT2AMAPT
SCHEMBL28959155 0.79 MEN1 (0.62) ALDH1A1HPGDKDM4ERAB9AMEN1
SCHEMBL2208967 0.78 KDM4E (0.64) ALDH1A1KDM4ESMN1; SMN2KMT2AHSD17B10
SCHEMBL19211173 0.78 RHEB (0.53) RAB9ANPC1KMT2APOLB
SCHEMBL7283679 0.78 MAPT (0.46) ALDH1A1HPGDKDM4ERAB9ANPC1
SCHEMBL372048 0.76 IMPDH2 (0.58) ALDH1A1HPGDKDM4ESMN1; SMN2MEN1
SCHEMBL6935037 0.76 ALDH1A1 (0.56) ALDH1A1HPGDKDM4ERAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12503439-B2 Heteroaryl compounds for the treatment of pain VERTEX PHARMACEUTICALS INCORPORATED (US) 2025-12-23 US disclosed
EP-4416146-A1 SUBSTITUTED 1H-PYRAZOLO [4,3-C] QUINOLINES, METHODS OF PREPARATION, AND USE THEREOF Lomond Therapeutics, Inc. (US) 2024-08-21 EP disclosed
CN-118076605-A Substituted 1H-pyrazolo [4,3-c ] quinolines, methods of preparation and uses thereof 洛蒙治疗公司 2024-05-24 CN disclosed
US-20230373925-A1 HETEROARYL COMPOUNDS FOR THE TREATMENT OF PAIN VERTEX PHARMACEUTICALS INCORPORATED 2023-11-23 US disclosed
WO-2023064133-A1 SUBSTITUTED 1H-PYRAZOLO [4,3-c] QUINOLINES, METHODS OF PREPARATION, AND USE THEREOF LOMOND THERAPEUTICS, INC. (US) 2023-04-20 WO disclosed
EP-3414229-A1 QUINOLINONE LYSYL OXIDASE-LIKE 2 INHIBITORS AND USES THEREOF Pharmakea, Inc. (US) 2018-12-19 EP disclosed
WO-2017139274-A1 QUINOLINONE LYSYL OXIDASE-LIKE 2 INHIBITORS AND USES THEREOF PHARMAKEA, INC. (US) 2017-08-17 WO disclosed
US-9656948-B2 Compound, optical resolution method, and derivative of an optical isomer of an amino acid SHISEIDO COMPANY, LTD. (JP) 2017-05-23 US disclosed
US-20160039743-A1 COMPOUND, OPTICAL RESOLUTION METHOD, AND DERIVATIVE OF AN OPTICAL ISOMER OF AN AMINO ACID SHISEIDO COMPANY, LTD. (JP) 2016-02-11 US disclosed
US-9193684-B2 Compound, optical resolution method, and derivative of an optical isomer of an amino acid SHISEIDO COMPANY, LTD. (JP) 2015-11-24 US disclosed
US-20150065716-A1 COMPOUND, OPTICAL RESOLUTION METHOD, AND DERIVATIVE OF AN OPTICAL ISOMER OF AN AMINO ACID SHISEIDO COMPANY, LTD. (JP) 2015-03-05 US disclosed
EP-1724268-A1 COMPOUND HAVING TGF-BETA INHIBITORY ACTIVITY AND PHARMACEUTICAL COMPOSITION CONTAINING SAME KIRIN BEER KABUSHIKI KAISHA (JP) 2006-11-22 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 (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-20150065716-A1 COMPOUND, OPTICAL RESOLUTION METHOD, AND DERIVATIVE OF AN OPTICAL ISOMER OF AN AMINO ACID BCAT2, BCAT1, AADAT ALDH1A1 2978/4885HPGD 3011/4885KDM4E 4421/4885
US-20160039743-A1 COMPOUND, OPTICAL RESOLUTION METHOD, AND DERIVATIVE OF AN OPTICAL ISOMER OF AN AMINO ACID BCAT2, BCAT1, AADAT ALDH1A1 2978/4885HPGD 3011/4885KDM4E 4421/4885
US-20230373925-A1 HETEROARYL COMPOUNDS FOR THE TREATMENT OF PAIN TRPV1, SCN3A, KCNN3 ALDH1A1 1762/4885HPGD 546/4885KDM4E 4346/4885
US-12503439-B2 Heteroaryl compounds for the treatment of pain TRPV1, SCN3A, KCNN3 ALDH1A1 1762/4885HPGD 546/4885KDM4E 4346/4885

“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.