SCHEMBL3725357

SCHEMBL3725357

C/C(=N/N)c1cccc(Br)c1

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.53
▸ RAB9A P51151 1/20 0.53
▸ SMN1; SMN2 Q16637 1/20 0.53
▸ C1S P09871 1/20 0.52
▸ PARP1 P09874 1/20 0.52
▸ MTOR P42345 3/20 0.48
▸ CYP1A2 P05177 1/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ FURIN P09958 1/20 0.46
▸ KDM4E B2RXH2 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ ALDH1A1 P00352 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
SCHEMBL28127816 1.00 NPC1 (0.53) NPC1RAB9ASMN1; SMN2C1SPARP1
SCHEMBL8321303 0.82 NPC1 (0.54) NPC1RAB9ASMN1; SMN2C1SPARP1
SCHEMBL17134067 0.82 NPC1 (0.54) NPC1RAB9ASMN1; SMN2C1SPARP1
SCHEMBL7109724 0.82 NPC1 (0.54) NPC1RAB9ASMN1; SMN2C1SPARP1
SCHEMBL2171300 0.79 NPC1 (0.49) NPC1RAB9ASMN1; SMN2C1SPARP1
SCHEMBL2171294 0.79 NPC1 (0.49) NPC1RAB9ASMN1; SMN2C1SPARP1
SCHEMBL23436584 0.78 PARP1 (0.53) SMN1; SMN2PARP1FURINKDM4E
SCHEMBL16710523 0.78 KDM4E (0.56) NPC1RAB9APARP1CYP3A4FURIN
SCHEMBL14627751 0.78 PARP1 (0.53) SMN1; SMN2PARP1FURINKDM4E
SCHEMBL4157209 0.78 MEN1 (0.57) NPC1RAB9ASMN1; SMN2CYP1A2CYP3A4

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-20170189443-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF DISEASES AND CONDITIONS EMPLOYING ORAL ADMINISTRATION OF SODIUM PENTOSAN POLYSULFATE AND OTHER PENTOSAN POLYSULFATE SALTS PLATINUM MONTAUR LIFE SCIENCES, LLC AND AS AGENT (KY) 2017-07-06 — — US claimed
EP-3110427-A1 COMPOSITIONS OF PENTOSAN POLYSULFATE SALTS FOR ORAL ADMINISTRATION AND METHODS OF USE Urigen Pharmaceuticals, Inc. (US) 2017-01-04 — — EP claimed
WO-2015127416-A1 COMPOSITIONS OF PENTOSAN POLYSULFATE SALTS FOR ORAL ADMINISTRATION AND METHODS OF USE URIGEN PHARMACEUTICALS, INC. (US) 2015-08-27 — — WO claimed
US-20070123508-A1 PAR2-modulating compounds and their use ACADIA PHARMACEUTICALS INC. 2007-05-31 — — US claimed
US-20170189443-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF DISEASES AND CONDITIONS EMPLOYING ORAL ADMINISTRATION OF SODIUM PENTOSAN POLYSULFATE AND OTHER PENTOSAN POLYSULFATE SALTS PLATINUM MONTAUR LIFE SCIENCES, LLC AND AS AGENT (KY) 2017-07-06 — — US disclosed
EP-3110427-A1 COMPOSITIONS OF PENTOSAN POLYSULFATE SALTS FOR ORAL ADMINISTRATION AND METHODS OF USE Urigen Pharmaceuticals, Inc. (US) 2017-01-04 — — EP disclosed
US-9125861-B2 PAR2 agonists for use in the treatment or prevention of influenza virus type A infections INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2015-09-08 — — US disclosed
WO-2015127416-A1 COMPOSITIONS OF PENTOSAN POLYSULFATE SALTS FOR ORAL ADMINISTRATION AND METHODS OF USE URIGEN PHARMACEUTICALS, INC. (US) 2015-08-27 — — WO disclosed
WO-2010128016-A2 PAR2 AGONISTS FOR USE IN THE TREATMENT OR PREVENTION OF INFLUENZA VIRUS TYPE A INFECTIONS INSERM (Institut National de la Santé et de la Recherche Médicale) (FR) 2010-11-11 — — WO disclosed
US-20070123508-A1 PAR2-modulating compounds and their use ACADIA PHARMACEUTICALS INC. 2007-05-31 — — 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 (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-20070123508-A1 PAR2-modulating compounds and their use F2RL1, F2R, F2RL3 NPC1 1469/4885RAB9A 1228/4885SMN1; SMN2 2907/4885
US-20170189443-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF DISEASES AND CONDITIONS EMPLOYING ORAL ADMINISTRATION OF SODIUM PENTOSAN POLYSULFATE AND OTHER PENTOSAN POLYSULFATE SALTS SI, SLC20A1, SLC20A2 NPC1 1607/4885RAB9A 3841/4885SMN1; SMN2 366/4885

“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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