SCHEMBL6931409

SCHEMBL6931409

CC(=O)c1ccc(NC(=N)N)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.56
NPC1 O15118 4/20 0.56
SMN1; SMN2 Q16637 4/20 0.56
RAB9A P51151 3/20 0.56
TAAR1 Q96RJ0 1/20 0.56
F2 P00734 1/20 0.55
PRSS1 P07477 1/20 0.55
PRSS2 P07478 1/20 0.55
PRSS3 P35030 1/20 0.55
TMPRSS6 Q8IU80 1/20 0.55
ST14 Q9Y5Y6 1/20 0.55
KMT2A Q03164 4/20 0.55
MEN1 O00255 3/20 0.55
HTT P42858 1/20 0.55
NLRP1 Q9C000 1/20 0.55
CA12 O43570 2/20 0.53
CA1 P00915 2/20 0.53
CA2 P00918 2/20 0.53
CA9 Q16790 2/20 0.53
ALDH1A1 P00352 3/20 0.50

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
SCHEMBL17777448 0.85 MAPT (0.50) MAPTNPC1SMN1; SMN2RAB9ATAAR1
Hydrochloric Acid SCHEMBL19371465 0.84 MAPT (0.49) MAPTNPC1SMN1; SMN2RAB9ATAAR1
SCHEMBL1999045 0.83 F2 (0.59) MAPTNPC1SMN1; SMN2RAB9AF2
SCHEMBL10895758 0.83 SMN1; SMN2 (0.61) MAPTNPC1SMN1; SMN2RAB9ATAAR1
SCHEMBL29650098 0.83 MAPT (0.60) MAPTNPC1SMN1; SMN2RAB9ATAAR1
SCHEMBL28357396 0.83 MAPT (0.60) MAPTNPC1SMN1; SMN2RAB9ATAAR1
SCHEMBL6358704 0.83 MAPT (0.60) MAPTNPC1SMN1; SMN2RAB9ATAAR1
SCHEMBL24891830 0.82 KMT2A (0.64) MAPTNPC1SMN1; SMN2RAB9AF2
SCHEMBL7913893 0.82 F2 (0.57) NPC1F2PRSS1PRSS2PRSS3
SCHEMBL7922546 0.82 F2 (0.57) NPC1F2PRSS1PRSS2PRSS3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0865434-B1 COMPOUNDS AND THEIR USE TO TREAT INFECTIOUS DISEASES PICOWER INST MED RES (US) 2003-12-17 EP claimed
EP-2757093-B1 GUANIDINOBENZOIC ACID COMPOUND ASTELLAS PHARMA INC (JP) 2016-12-07 EP disclosed
WO-2014142219-A1 GUANIDINOBENZOIC ACID ESTER COMPOUND アステラス製薬株式会社 (JP) 2014-09-18 WO disclosed
US-20120178739-A1 LACTAM COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-07-12 US disclosed
US-8124764-B2 Fused heterocyclyc inhibitor compounds GILEAD SCIENCES, INC. (US) 2012-02-28 US disclosed
US-20110039820-A1 LACTAM COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-02-17 US disclosed
US-20100029638-A1 FUSED HETEROCYCLYC INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. 2010-02-04 US disclosed
US-20080064643-A1 Myd88 Homodimerization Inhibitors SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2008-03-13 US disclosed
US-20080064643-A1 Myd88 Homodimerization Inhibitors SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2008-03-13 US disclosed
EP-0865434-B1 COMPOUNDS AND THEIR USE TO TREAT INFECTIOUS DISEASES PICOWER INST MED RES (US) 2003-12-17 EP disclosed
US-4347310-A INCREASED PHOTOSENZITIVITY USING GUANIDINE DERIVTIVES AS SENSITIZERS; PHOTOSTABILITY; STORAGE STABILITY ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1982-08-31 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-20120178739-A1 LACTAM COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS PRKCI, PIK3CA, AKT1 MAPT 2225/4885NPC1 2485/4885SMN1; SMN2 2957/4885
US-20100029638-A1 FUSED HETEROCYCLYC INHIBITOR COMPOUNDS HDAC1, HDAC11, HDAC7 MAPT 2011/4885NPC1 2452/4885SMN1; SMN2 3263/4885
US-20110039820-A1 LACTAM COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS PRKCI, PIK3CA, AKT1 MAPT 2225/4885NPC1 2485/4885SMN1; SMN2 2957/4885
US-20080064643-A1 Myd88 Homodimerization Inhibitors MYD88, TLR4, TLR6 MAPT 4322/4885NPC1 4144/4885SMN1; SMN2 3367/4885

“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.