SCHEMBL11510399

SCHEMBL11510399

O=C(Cl)Cc1ccc(CCl)cc1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA2 P00918 4/20 0.52
CA1 P00915 2/20 0.52
CAMK2A Q9UQM7 1/20 0.39
CES2 O00748 1/20 0.37
CES1 P23141 1/20 0.37
AKR1B1 P15121 1/20 0.37
LMNA P02545 2/20 0.37
ABCC4 O15439 1/20 0.37
GAA P10253 1/20 0.37
TSHR P16473 1/20 0.37
PTGS1 P23219 1/20 0.37
HTT P42858 1/20 0.37
FNTA P49354 1/20 0.35
FNTB P49356 1/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
CTBP2 P56545 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL4194796 0.89 CA2 (0.46) CA2CAMK2ACES2CES1AKR1B1
SCHEMBL28455325 0.82 LMNA (0.54) CA2CAMK2ACES2CES1AKR1B1
SCHEMBL19751798 0.81 ALDH1A1 (0.39) CA2CA1CAMK2ACES2CES1
SCHEMBL76050 0.80 NPC1 (0.53) LMNAHTTNPC1RAB9ACTBP2
SCHEMBL5445821 0.80 CA2 (0.62) CA2CAMK2ALMNAFNTAFNTB
SCHEMBL1433201 0.80 CA2 (0.62) CA2CA1CAMK2AAKR1B1LMNA
SCHEMBL155192 0.78 ALDH1A1 (0.52) CA2LMNATSHRRAB9AL3MBTL1
SCHEMBL17501386 0.78 CA2 (0.64) CA2CA1LMNA
SCHEMBL14374267 0.78 CA2 (0.38) CA2CAMK2ACES2CES1AKR1B1
SCHEMBL657538 0.78 RAB9A (0.55) LMNAGAANPC1RAB9ACTBP2

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9603833-B2 Benzene or thiophene derivative and use thereof as VAP-1 inhibitor R-TECH UENO, LTD. (JP) 2017-03-28 US disclosed
US-9603833-B2 Benzene or thiophene derivative and use thereof as VAP-1 inhibitor R-TECH UENO, LTD. (JP) 2017-03-28 US disclosed
EP-2886534-A1 Benzene or thiophene derivative and use thereof as VAP-1 inhibitor R-Tech Ueno, Ltd. (JP) 2015-06-24 EP disclosed
US-20150166525-A1 BENZENE OR THIOPHENE DERIVATIVE AND USE THEREOF AS VAP-1 INHIBITOR R TECH UENO LTD (JP) 2015-06-18 US disclosed
US-20150166525-A1 BENZENE OR THIOPHENE DERIVATIVE AND USE THEREOF AS VAP-1 INHIBITOR R TECH UENO LTD (JP) 2015-06-18 US disclosed
US-8999989-B2 Benzene or thiophene derivative and use thereof as VAP-1 inhibitor R-TECH UENO, LTD. (JP) 2015-04-07 US disclosed
US-8999989-B2 Benzene or thiophene derivative and use thereof as VAP-1 inhibitor R-TECH UENO, LTD. (JP) 2015-04-07 US disclosed
US-20110059957-A1 BENZENE OR THIOPHENE DERIVATIVE AND USE THEREOF AS VAP-1 INHIBITOR R-TECH UENO, LTD. (JP) 2011-03-10 US disclosed
US-20110059957-A1 BENZENE OR THIOPHENE DERIVATIVE AND USE THEREOF AS VAP-1 INHIBITOR R-TECH UENO, LTD. (JP) 2011-03-10 US disclosed
WO-2009145360-A1 BENZENE OR THIOPHENE DERIVATIVE AND USE THEREOF AS VAP-1 INHIBITOR R-TECH UENO, LTD. (JP) 2009-12-03 WO disclosed
US-4125715-A BACTERICIDE YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 1978-11-14 US disclosed
US-4124761-A ANTIBIOTICS YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 1978-11-07 US disclosed
US-4118562-A ANTIBIOTICS YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 1978-10-03 US disclosed
US-4093802-A ANTIBIOTICS YEDA RESEARCH AND DEVELOPMENT CO., LTD. (IL) 1978-06-06 US disclosed
US-4093804-A ANTIBIOTICS YEDA RESEARCH AND DEVELOPMENT CO., LTD. (IL) 1978-06-06 US disclosed
US-4045438-A Cephalosporin antibiotics YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 1977-08-30 US disclosed
US-4031083-A Cephalosporin antibiotics YEDA RESEARCH AND DEVELOPMENT CO., LTD. (IL) 1977-06-21 US disclosed
US-4026887-A Cephalosporin antibiotics YEDA RESEARCH & DEVELOPMENT CO. LTD. (IL) 1977-05-31 US disclosed
US-3994875-A CEPHALOSPORINS, PENICILLINS YEDA RESEARCH & DEVELOPMENT CO. LTD. (IL) 1976-11-30 US disclosed
US-3948904-A ANTIBIOTICS YEDA RESEARCH & DEVELOPMENT CO. LTD. (IL) 1976-04-06 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-20150166525-A1 BENZENE OR THIOPHENE DERIVATIVE AND USE THEREOF AS VAP-1 INHIBITOR VAPB, VAPA, BET1 CA2 3768/4885CA1 4672/4885CAMK2A 3129/4885
US-20110059957-A1 BENZENE OR THIOPHENE DERIVATIVE AND USE THEREOF AS VAP-1 INHIBITOR VAPB, VAPA, BET1 CA2 3768/4885CA1 4672/4885CAMK2A 3129/4885

“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.