SCHEMBL10597044

SCHEMBL10597044

Cc1cc(I)c(C(=O)O)cc1C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.45
▸ HPGD P15428 2/20 0.45
▸ HSD17B10 Q99714 2/20 0.45
▸ GAA P10253 1/20 0.45
▸ ALDH1A1 P00352 4/20 0.44
▸ NOTUM Q6P988 1/20 0.43
▸ MCL1 Q07820 1/20 0.41
▸ HMGB1 P09429 1/20 0.39
▸ CXCL12 P48061 1/20 0.39
▸ GABRP O00591 1/20 0.39
▸ GABRD O14764 1/20 0.39
▸ GABRA1 P14867 1/20 0.39
▸ GABRB1 P18505 1/20 0.39
▸ GABRG2 P18507 1/20 0.39
▸ GABRB3 P28472 1/20 0.39
▸ GABRA5 P31644 1/20 0.39
▸ GABRA3 P34903 1/20 0.39
▸ GABRA2 P47869 1/20 0.39
▸ GABRB2 P47870 1/20 0.39
▸ GABRA4 P48169 1/20 0.39

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
SCHEMBL24597721 0.88 KDM4E (0.44) KDM4EHPGDHSD17B10GAAALDH1A1
SCHEMBL16277410 0.83 KDM4E (0.40) KDM4EHPGDHSD17B10GAAALDH1A1
SCHEMBL16277463 0.83 KEAP1 (0.40) KDM4EHPGDHSD17B10GAAALDH1A1
SCHEMBL1685590 0.82 TPMT (0.48) KDM4EHPGDHSD17B10ALDH1A1MCL1
SCHEMBL235710 0.82 KDM4E (0.54) KDM4EHPGDHSD17B10GAAALDH1A1
SCHEMBL30442476 0.82 KDM4E (0.54) KDM4EHPGDHSD17B10GAAALDH1A1
SCHEMBL29077085 0.81 KDM4E (0.45) KDM4EHPGDHSD17B10GAAALDH1A1
SCHEMBL12081950 0.80 LCK (0.50) KDM4EHPGDHSD17B10ALDH1A1TPMT
SCHEMBL34467596 0.79 TPMT (0.46) KDM4EHPGDHSD17B10ALDH1A1MCL1
SCHEMBL2222259 0.79 SIRT3 (0.39) KDM4EGAAALDH1A1LMNATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023218023-A1 THIAZOLOARYL-METHYL SUBSTITUTED CYCLIC HYDRAZINE-N-CARBOXAMIDE DERIVATIVES IDORSIA PHARMACEUTICALS LTD (CH) 2023-11-16 — — WO disclosed
US-9951087-B2 Fused ring analogues of anti-fibrotic agents FIBROTECH THERAPEUTICS PTY LTD (AU) 2018-04-24 — — US disclosed
US-20150266893-A1 FUSED RING ANALOGUES OF ANTI-FIBROTIC AGENTS FIBROTECH THERAPEUTICS PTY LTD (AU) 2015-09-24 — — US disclosed
US-9062076-B2 Fused ring analogues of anti-fibrotic agents FIBROTECH THERAPEUTICS PTY LTD (AU) 2015-06-23 — — US disclosed
US-9005670-B2 Use of histone acetyltransferase inhibitors as novel anti-cancer therapies THE JOHNS HOPKINS UNIVERSITY (US) 2015-04-14 — — US disclosed
US-9005670-B2 Use of histone acetyltransferase inhibitors as novel anti-cancer therapies THE JOHNS HOPKINS UNIVERSITY (US) 2015-04-14 — — US disclosed
US-9005670-B2 Use of histone acetyltransferase inhibitors as novel anti-cancer therapies THE JOHNS HOPKINS UNIVERSITY (US) 2015-04-14 — — US disclosed
US-20130142887-A1 USE OF HISTONE ACETYLTRANSFERASE INHIBITORS AS NOVEL ANTI-CANCER THERAPIES THE JOHNS HOPKINS UNIVERSITY (US) 2013-06-06 — — US disclosed
US-20130142887-A1 USE OF HISTONE ACETYLTRANSFERASE INHIBITORS AS NOVEL ANTI-CANCER THERAPIES THE JOHNS HOPKINS UNIVERSITY (US) 2013-06-06 — — US disclosed
US-20130142887-A1 USE OF HISTONE ACETYLTRANSFERASE INHIBITORS AS NOVEL ANTI-CANCER THERAPIES THE JOHNS HOPKINS UNIVERSITY (US) 2013-06-06 — — US disclosed
WO-2013050938-A1 3,7-DIAZABICYCLO[3.3.1]NONANE AND 9-OXA-3,7-DIAZABICYCLO[3.3.1]NONANE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2013-04-11 — — WO disclosed
US-20120270863-A1 FUSED RING ANALOGUES OF ANTI-FIBROTIC AGENTS FIBROTECH THERAPEUTICS PTY LTD (AU) 2012-10-25 — — US disclosed
EP-0181526-B1 BENZOIC ACID DERIVATIVES Chugai Seiyaku Kabushiki Kaisha (JP) 1989-01-18 — — EP disclosed
US-4698364-A INFECTION CONTROL CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 1987-10-06 — — US disclosed
EP-0181526-A1 Benzoic acid derivatives Chugai Seiyaku Kabushiki Kaisha (JP) 1986-05-21 — — 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-20150266893-A1 FUSED RING ANALOGUES OF ANTI-FIBROTIC AGENTS MMP1, FIBP, COL2A1 KDM4E 1681/4885HPGD 612/4885HSD17B10 2168/4885
US-20120270863-A1 FUSED RING ANALOGUES OF ANTI-FIBROTIC AGENTS MMP1, FIBP, COL2A1 KDM4E 1681/4885HPGD 612/4885HSD17B10 2168/4885
US-20130142887-A1 USE OF HISTONE ACETYLTRANSFERASE INHIBITORS AS NOVEL ANTI-CANCER THERAPIES EP300, HDAC1, KAT2A KDM4E 364/4885HPGD 2040/4885HSD17B10 1457/4885

“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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