SCHEMBL122445

SCHEMBL122445

N=C(Nc1ccc(CCNCc2cccc(Cl)c2)cc1)c1cccs1

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 3/20 0.64
NOS1 P29475 2/20 0.64
NOS2 P35228 2/20 0.64
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2C19 P33261 1/20 0.52
NPC1 O15118 3/20 0.51
RAB9A P51151 3/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
HTT P42858 1/20 0.51
SLC2A1 P11166 2/20 0.46
HDAC1 Q13547 1/20 0.45
CNR1 P21554 1/20 0.45
CHRM2 P08172 1/20 0.44
MAPT P10636 1/20 0.43

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
SCHEMBL29558856 1.00 NOS3 (0.64) NOS3NOS1NOS2CYP1A2CYP3A4
Hydrochloric Acid SCHEMBL31114391 0.99 NOS3 (0.65) NOS3NOS1NOS2CYP1A2CYP3A4
SCHEMBL6967975 0.94 NOS3 (0.57) NOS3NOS1NOS2CYP1A2CYP3A4
SCHEMBL6967589 0.91 NOS3 (0.59) NOS3NOS1NOS2CYP1A2CYP3A4
SCHEMBL15499648 0.90 NOS3 (0.51) NOS3NOS1NOS2CYP1A2CYP3A4
SCHEMBL6962276 0.89 NPC1 (0.52) NOS3NOS1NOS2NPC1RAB9A
SCHEMBL6962883 0.88 NOS3 (0.49) NOS3NOS1NOS2CYP1A2CYP2D6
SCHEMBL6961265 0.87 NOS1 (0.48) NOS3NOS1NOS2CYP1A2CYP3A4
SCHEMBL3264531 0.87 NOS3 (0.64) NOS3NOS1NOS2CYP1A2CYP3A4
SCHEMBL6963560 0.86 GAA (0.49) NOS3NOS1NOS2CYP1A2CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210060123-A1 THERAPEUTIC USE OF P75NTR NEUROTROPHIN BINDING PROTEIN LEVICEPT LTD (GB) 2021-03-04 US claimed
US-20180161392-A1 THERAPEUTIC USE OF P75NTR NEUROTROPHIN BINDING PROTEIN LEVICEPT LTD (GB) 2018-06-14 US claimed
EP-2825208-B1 P75NTR NEUROTROPHIN BINDING PROTEIN FOR THERAPEUTIC USE LEVICEPT LTD (GB) 2017-05-17 EP claimed
US-20150037335-A1 THERAPEUTIC USE OF P75NTR NEUROTROPHIN BINDING PROTEIN LEVICEPT LTD (GB) 2015-02-05 US claimed
EP-2825208-A1 THERAPEUTIC USE OF P75NTR NEUROTROPHIN BINDING PROTEIN Levicept Ltd. (GB) 2015-01-21 EP claimed
EP-2175728-B1 SODIUM CHANNEL INHIBITORS ICAGEN INC (US) 2014-09-10 EP claimed
WO-2013136078-A1 THERAPEUTIC USE OF P75NTR NEUROTROPHIN BINDING PROTEIN LEVICEPT LTD (GB) 2013-09-19 WO claimed
US-20090111837-A1 USE OF PDE7 INHIBITORS FOR THE TREATMENT OF NEUROPATHIC PAIN PFIZER INC. 2009-04-30 US claimed
EP-1855686-A1 USE OF PDE7 INHIBITORS FOR THE TREATMENT OF NEUROPATHIC PAIN Pfizer Limited (GB) 2007-11-21 EP claimed
WO-2006092691-A1 USE OF PDE7 INHIBITORS FOR THE TREATMENT OF NEUROPATHIC PAIN PFIZER LIMITED (GB) 2006-09-08 WO claimed
US-6030985-A Amidine derivatives with nitric oxide synthetase activities ASTRA AKTIEBOLAG (SE) 2000-02-29 US claimed
EP-0713483-A1 AMIDINE DERIVATIVES WITH NITRIC OXIDE SYNTHETASE ACTIVITIES Astra Aktiebolag (SE) 1996-05-29 EP claimed
WO-1995005363-A1 AMIDINE DERIVATIVES WITH NITRIC OXIDE SYNTHETASE ACTIVITIES ASTRA AKTIEBOLAG (SE) 1995-02-23 WO claimed
US-20260146036-A1 CRYSTALLINE FORMS RAQUALIA PHARMA INC. (JP) 2026-05-28 US disclosed
US-20260139031-A1 FUSION PROTEIN LEVICEPT LTD (GB) 2026-05-21 US disclosed
EP-4377309-B1 CRYSTALLINE FORMS RAQUALIA PHARMA INC (JP) 2026-05-20 EP disclosed
EP-0713483-B1 AMIDINE DERIVATIVES WITH NITRIC OXIDE SYNTHETASE ACTIVITIES ASTRAZENECA AB (SE) 2003-01-15 EP disclosed
US-6030985-A Amidine derivatives with nitric oxide synthetase activities ASTRA AKTIEBOLAG (SE) 2000-02-29 US disclosed
US-5807885-A Amidine derivatives with nitric oxide synthetase activities ASTRA AKTIEBOLAG (SE) 1998-09-15 US disclosed
WO-1995005363-A1 AMIDINE DERIVATIVES WITH NITRIC OXIDE SYNTHETASE ACTIVITIES ASTRA AKTIEBOLAG (SE) 1995-02-23 WO 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 (3 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-20260146036-A1 CRYSTALLINE FORMS PRKCD, CCT8, CRYZ NOS3 3470/4885NOS1 2868/4885NOS2 2684/4885
US-20090111837-A1 USE OF PDE7 INHIBITORS FOR THE TREATMENT OF NEUROPATHIC PAIN PDE7A, PDE7B, PDE3A NOS3 525/4885NOS1 530/4885NOS2 508/4885
US-20260139031-A1 FUSION PROTEIN NTRK2, BDNF, NGFR NOS3 244/4885NOS1 516/4885NOS2 543/4885

“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.