SCHEMBL2584631

SCHEMBL2584631

CC(=O)c1ccncc1C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 16/20 0.57
KDM6B O15054 7/20 0.57
KDM4D Q6B0I6 4/20 0.57
KDM4E B2RXH2 3/20 0.57
TDP1 Q9NUW8 2/20 0.57
KDM4A O75164 2/20 0.57
ALDH1A1 P00352 2/20 0.57
MEN1 O00255 1/20 0.57
MAPT P10636 1/20 0.57
THRB P10828 1/20 0.57
KMT2A Q03164 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
SIRT3 Q9NTG7 1/20 0.46
GLA P06280 1/20 0.42
GAA P10253 1/20 0.42
NAPRT Q6XQN6 1/20 0.41

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
SCHEMBL9630486 0.92 KDM4C (0.57) KDM4CKDM6BKDM4DKDM4ETDP1
SCHEMBL29951336 0.92 KDM4C (0.57) KDM4CKDM6BKDM4DKDM4ETDP1
SCHEMBL28317597 0.89 TDP1 (0.50) KDM4CKDM6BKDM4DKDM4ETDP1
SCHEMBL29416303 0.87 KDM4C (0.65) KDM4CKDM6BKDM4DKDM4ETDP1
SCHEMBL71335 0.87 KDM4C (0.65) KDM4CKDM6BKDM4DKDM4ETDP1
SCHEMBL28799175 0.85 KDM4C (0.63) KDM4CKDM6BKDM4DKDM4ETDP1
Hydrochloric Acid SCHEMBL10697489 0.85 KDM4C (0.63) KDM4CKDM6BKDM4DKDM4ETDP1
SCHEMBL27758655 0.85 KDM4C (0.63) KDM4CKDM6BKDM4DKDM4ETDP1
SCHEMBL19857493 0.85 KDM4C (0.63) KDM4CKDM6BKDM4DKDM4ETDP1
SCHEMBL26607910 0.85 KDM4C (0.63) KDM4CKDM6BKDM4DKDM4ETDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3405477-B1 INHIBITORS OF TRANSGLUTAMINASES ZEDIRA GMBH (DE) 2023-06-07 EP disclosed
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
US-11072634-B2 Inhibitors of transglutaminases ZEDIRA GMBH (DE) 2021-07-27 US disclosed
WO-2020163673-A1 INHIBITORS OF ADENYLATE-FORMING ENZYME MENE MEMORIAL SLOAN-KETTERING CANCER CENTER (US) 2020-08-13 WO disclosed
US-20190322700-A1 INHIBITORS OF TRANSGLUTAMINASES ZEDIRA GMBH (DE) 2019-10-24 US disclosed
WO-2018122419-A1 INHIBITORS OF TRANSGLUTAMINASES ZEDIRA GMBH (DE) 2018-07-05 WO disclosed
US-9546139-B2 Pyridine carboxylic acid based compound used as a P2X1 and P2X3 receptor antagonist, a production method for the same and a composition comprising the same GWANGJU INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2017-01-17 US disclosed
US-9388175-B2 2-aniline-4-aryl substituted thiazole derivatives JANSSEN PHARMACEUTICA N.V. (BE) 2016-07-12 US disclosed
US-20130040997-A1 NOVEL PYRIDINE CARBOXYLIC ACID BASED COMPOUND USED AS A P2X1 AND P2X3 RECEPTOR ANTAGONIST, A PRODUCTION METHOD FOR THE SAME AND A COMPOSITION COMPRISING THE SAME GWANGJU INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2013-02-14 US disclosed
US-20110269748-A1 2-ANILINE-4-ARYL SUBSTITUTED THIAZOLE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 2011-11-03 US disclosed
WO-2002030466-A2 PHARMACEUTICAL APPLICATIONS OF HYDROTROPIC AGENTS, POLYMERS THEREOF, AND HYDROGELS THEREOF PURDUE RESEARCH FOUNDATION (US) 2002-04-18 WO disclosed
US-5098462-A Herbicides SANDOZ LTD. (CH) 1992-03-24 US disclosed
US-5098466-A Herbicides SANDOZ LTD. (CH) 1992-03-24 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-20110269748-A1 2-ANILINE-4-ARYL SUBSTITUTED THIAZOLE DERIVATIVES CHRNA4, CHRNA5, CHRNA7 KDM4C 1428/4885KDM6B 2734/4885KDM4D 2686/4885
US-20130040997-A1 NOVEL PYRIDINE CARBOXYLIC ACID BASED COMPOUND USED AS A P2X1 AND P2X3 RECEPTOR ANTAGONIST, A PRODUCTION METHOD FOR THE SAME AND A COMPOSITION COMPRISING THE SAME P2RX3, P2RX1, P2RX2 KDM4C 2541/4885KDM6B 2306/4885KDM4D 3245/4885
US-20190322700-A1 INHIBITORS OF TRANSGLUTAMINASES TGM2, TGM3, TGM1 KDM4C 802/4885KDM6B 439/4885KDM4D 957/4885
US-11072634-B2 Inhibitors of transglutaminases TGM2, TGM3, TGM1 KDM4C 802/4885KDM6B 439/4885KDM4D 957/4885

“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.