SCHEMBL12119403

SCHEMBL12119403

CCN(CC)c1ccc2c(-c3ccccc3C(=O)N3CCNCC3)c3ccc(=[N+](CC)CC)cc-3oc2c1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TGM2 P21980 1/20 0.61
▸ MEN1 O00255 2/20 0.53
▸ BLM P54132 2/20 0.53
▸ KMT2A Q03164 2/20 0.53
▸ USP2 O75604 1/20 0.53
▸ POLB P06746 1/20 0.53
▸ PPARG P37231 1/20 0.53
▸ RXFP1 Q9HBX9 1/20 0.53
▸ NCOR2 Q9Y618 1/20 0.53
▸ FPR2 P25090 4/20 0.48
▸ NPY4R P50391 3/20 0.48
▸ CHRM1 P11229 1/20 0.47
▸ AVPR2 P30518 4/20 0.46
▸ TLR7 Q9NYK1 1/20 0.42
▸ APLNR P35414 2/20 0.40
▸ THRB P10828 1/20 0.39
▸ RECQL P46063 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ IGLV6-57 P01721 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
Hydrochloric Acid SCHEMBL13737398 0.99 TGM2 (0.60) TGM2MEN1BLMKMT2AUSP2
SCHEMBL18087519 0.92 TGM2 (0.62) TGM2MEN1BLMKMT2AUSP2
SCHEMBL17399553 0.90 TGM2 (0.65) TGM2MEN1BLMKMT2AUSP2
SCHEMBL18540754 0.89 TGM2 (0.48) TGM2MEN1BLMKMT2AUSP2
SCHEMBL12870952 0.88 TGM2 (0.60) TGM2MEN1BLMKMT2AUSP2
Piperazine SCHEMBL1317991 0.88 MEN1 (0.55) TGM2MEN1BLMKMT2AUSP2
SCHEMBL18732968 0.88 TGM2 (0.61) TGM2MEN1BLMKMT2AUSP2
SCHEMBL18067135 0.88 TGM2 (0.60) TGM2MEN1BLMKMT2AUSP2
SCHEMBL13103120 0.88 TGM2 (0.61) TGM2MEN1BLMKMT2AUSP2
SCHEMBL13114580 0.86 TGM2 (0.59) TGM2MEN1BLMKMT2AUSP2

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
EP-3391056-B1 CHROMOGENIC PEROXIDASE SUBSTRATES AGILENT TECHNOLOGIES INC (US) 2024-01-17 — — EP disclosed
US-10017527-B2 KLK4 inhibitors UNIVERSITEIT ANTWERPEN (BE) 2018-07-10 — — US disclosed
US-20170175178-A1 CHROMOGENIC PEROXIDASE SUBSTRATES DAKO DENMARK APS (DK) 2017-06-22 — — US disclosed
US-20170101427-A1 NOVEL KLK4 INHIBITORS UNIVERSITEIT ANTWERPEN (BE) 2017-04-13 — — US disclosed
WO-2015124690-A1 COMPOSITION COMPRISING A FRET PAIR WITH A DEFINED GEOMETRY Fraunhofer-Gesellschaft zur Förderung der angewandten Forschung e.V. (DE) 2015-08-27 — — WO disclosed
US-8771642-B2 Active particles for bio-analytical applications and methods for their preparation Alma Mater Studiorum—Universita' di Bologna (IT) 2014-07-08 — — US disclosed
US-20140079632-A1 ACTIVITY-BASED PROBES FOR THE UROKINASE PLASMINOGEN ACTIVATOR UNIVERSITEIT ANTWERPEN (BE) 2014-03-20 — — US disclosed
WO-2012152807-A1 ACTIVITY-BASED PROBES FOR THE UROKINASE PLASMINOGEN ACTIVATOR UNIVERSITEIT ANTWERPEN (BE) 2012-11-15 — — WO disclosed
US-20110274621-A1 Active Particles for Bio-Analytical Applications and Methods for Their Preparation ALMA MATER STUDIORUM-UNIVERSITA'DI BOLOGNA (IT) 2011-11-10 — — US disclosed
US-20110274621-A1 Active Particles for Bio-Analytical Applications and Methods for Their Preparation ALMA MATER STUDIORUM-UNIVERSITA'DI BOLOGNA (IT) 2011-11-10 — — US disclosed
US-7820833-B2 Dithio compounds MARQUETTE UNIVERSITY (US) 2010-10-26 — — US disclosed
US-7820833-B2 Dithio compounds MARQUETTE UNIVERSITY (US) 2010-10-26 — — US disclosed
WO-2010013136-A2 ACTIVE PARTICLES FOR BIO-ANALYTICAL APPLICATIONS AND METHODS FOR THEIR PREPARATION ALMA MATER STUDIORUM - UNIVERSITA' DI BOLOGNA (IT) 2010-02-04 — — WO disclosed
US-20070054410-A1 include at least one fluorophore; may be used as reagents for detecting thiol-containing compounds; fluorescein isothiocyantate/rhodamine B diamino phenyl disulfide compound MARQUETTE UNIVERSITY 2007-03-08 — — US disclosed
US-20070054410-A1 include at least one fluorophore; may be used as reagents for detecting thiol-containing compounds; fluorescein isothiocyantate/rhodamine B diamino phenyl disulfide compound MARQUETTE UNIVERSITY 2007-03-08 — — 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 (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-20170175178-A1 CHROMOGENIC PEROXIDASE SUBSTRATES MPO, TPO, TYR TGM2 407/4885MEN1 3360/4885BLM 1525/4885
US-10017527-B2 KLK4 inhibitors KLK4, KLK3, KLK1 TGM2 944/4885MEN1 3183/4885BLM 4546/4885
US-20070054410-A1 include at least one fluorophore; may be used as reagents for detecting thiol-containing compounds; fluorescein isothiocyantate/rhodamine B diamino phenyl disulfide compound TST, PFAS, SQOR TGM2 749/4885MEN1 4714/4885BLM 3007/4885
US-20110274621-A1 Active Particles for Bio-Analytical Applications and Methods for Their Preparation PHOSPHO1, LIPA, ALG1 TGM2 1240/4885MEN1 294/4885BLM 2780/4885
US-20140079632-A1 ACTIVITY-BASED PROBES FOR THE UROKINASE PLASMINOGEN ACTIVATOR PLAU, SERPINE1, PRSS3 TGM2 343/4885MEN1 2509/4885BLM 2464/4885
US-20170101427-A1 NOVEL KLK4 INHIBITORS KLK4, KLK3, KLK1 TGM2 718/4885MEN1 3716/4885BLM 4497/4885

“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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