SCHEMBL2442379

SCHEMBL2442379

O=C(O)c1cn[c]nc1O

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.32
KMT2A Q03164 2/20 0.32
ALDH1A1 P00352 4/20 0.32
CA12 O43570 4/20 0.32
CA1 P00915 4/20 0.32
CA2 P00918 4/20 0.32
CA7 P43166 4/20 0.32
CA9 Q16790 4/20 0.32
CA14 Q9ULX7 4/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
NAPRT Q6XQN6 2/20 0.32
CA4 P22748 2/20 0.32
CA6 P23280 2/20 0.32
HMGB1 P09429 1/20 0.32
HPGD P15428 1/20 0.32
ALOX15 P16050 1/20 0.32
CYP1A2 P05177 1/20 0.32
MEN1 O00255 1/20 0.31
KDM6B O15054 1/20 0.31
KDM4A O75164 1/20 0.31

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
SCHEMBL2439685 0.77 KDM4E (0.43) KDM4EKMT2AALDH1A1SMN1; SMN2HPGD
SCHEMBL8630801 0.77 KDM4E (0.39) KDM4EKMT2AALDH1A1NAPRTHPGD
SCHEMBL8629182 0.77 SMN1; SMN2 (0.42) KDM4EKMT2AALDH1A1CA1CA2
SCHEMBL7249210 0.72 ASPH (0.39) KDM4EALDH1A1SMN1; SMN2HPGDMAPT
SCHEMBL15415804 0.70 DHODH (0.40) KDM4EKMT2AALDH1A1SMN1; SMN2HPGD
SCHEMBL15414913 0.70 DHODH (0.37) KDM4EKMT2AALDH1A1SMN1; SMN2HPGD
SCHEMBL15415487 0.69 DHODH (0.41) KDM4EALDH1A1SMN1; SMN2
SCHEMBL15415816 0.69 DHODH (0.41) KDM4EALDH1A1SMN1; SMN2
SCHEMBL15415424 0.68 KDM4C (0.49) KDM4EKDM4CASPHKDM8
SCHEMBL2440695 0.64

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120107273-A1 NEW PIPERAZINE COMPOUND AND USE THEREOF AS A HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC. (JP) 2012-05-03 US disclosed
US-8017612-B2 therapeutic agent for hepatitis C; R)-4-(4-trifluoromethyl-benzenesulfonyl)-piperazine-1,3-dicarboxylic acid 3-(4-isopropyl-benzylamide) 1-pyridin-4-ylamide; enzyme inhibitors JAPAN TOBACCO INC. (JP) 2011-09-13 US disclosed
EP-2009004-A1 NOVEL PIPERAZINE COMPOUND, AND USE THEREOF AS HCV POLYMERASE INHIBITOR Japan Tobacco, Inc. (JP) 2008-12-31 EP disclosed
US-20080081818-A1 therapeutic agent for hepatitis C; R)-4-(4-trifluoromethyl-benzenesulfonyl)-piperazine-1,3-dicarboxylic acid 3-(4-isopropyl-benzylamide) 1-pyridin-4-ylamide; enzyme inhibitors JAPAN TOBACCO INC. (JP) 2008-04-03 US disclosed
US-RE35754-E FOR TREATING BACTERIAL INFECTIONS HOECHST AKTIENGESELLSCHAFT (DE) 1998-03-24 US disclosed
US-5710146-A ANTIBIOTICS FOR BACTERICIDES HOECHST AKTIENGESELLSCHAFT (DE) 1998-01-20 US disclosed
US-5089490-A Cephem derivatives HOECHST AKTIENGESELLSCHAFT (DE) 1992-02-18 US disclosed
US-4758556-A Cephem derivatives HOECHST AKTIENGESELLSCHAFT (DE) 1988-07-19 US disclosed
US-4399131-A Cephem derivatives HOECHST AG (DE) 1983-08-16 US disclosed
US-4278793-A ANTIBIOTICS, BACTERICIDES HOECHST AKTIENGESELLSCHAFT (DE) 1981-07-14 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-20080081818-A1 therapeutic agent for hepatitis C; R)-4-(4-trifluoromethyl-benzenesulfonyl)-piperazine-1,3-dicarboxylic acid 3-(4-isopropyl-benzylamide) 1-pyridin-4-ylamide; enzyme inhibitors HAVCR2, AADAC, DNPEP KDM4E 502/4885KMT2A 779/4885ALDH1A1 96/4885
US-20120107273-A1 NEW PIPERAZINE COMPOUND AND USE THEREOF AS A HCV POLYMERASE INHIBITOR POLR1C, POLR2E, POLR2H KDM4E 1378/4885KMT2A 1343/4885ALDH1A1 557/4885

“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.