Sugi Predict

Sugi Predict / Compounds / SCHEMBL317861

SCHEMBL317861

SCHEMBL317861

Nc1nc(NCc2ccc(F)cc2)ccc1[N+](=O)[O-]

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 1/20 0.53
▸ CYP1A2 P05177 2/20 0.51
▸ CYP3A4 P08684 2/20 0.51
▸ CYP2C9 P11712 2/20 0.51
▸ CYP2C19 P33261 2/20 0.51
▸ KCNQ3 O43525 1/20 0.51
▸ KCNQ2 O43526 1/20 0.51
▸ ABCB11 O95342 1/20 0.51
▸ ESR1 P03372 1/20 0.51
▸ HTR1A P08908 1/20 0.51
▸ ADRA2A P08913 1/20 0.51
▸ ADORA3 P0DMS8 1/20 0.51
▸ CYP2D6 P10635 1/20 0.51
▸ ALOX15 P16050 1/20 0.51
▸ NFKB1 P19838 1/20 0.51
▸ TBXA2R P21731 1/20 0.51
▸ MAPK1 P28482 1/20 0.51
▸ CASP1 P29466 1/20 0.51
▸ SHMT2 P34897 1/20 0.51
▸ PTGS2 P35354 1/20 0.51

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
SCHEMBL5759562 0.86 POLB (0.55) HTTMAPK1MAPTMEN1KMT2A
SCHEMBL8046354 0.82 MAPT (0.48) HTTCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL15669248 0.81 HTT (0.50) HTTCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL939542 0.81 HTR6 (0.44) HTTCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL959701 0.79 CYP1A2 (0.44) HTTCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL966208 0.79 SIRT5 (0.49) HTTCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL317275 0.78 KCNQ3 (0.55) HTTCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL1172567 0.78 SERPINE1 (0.55) HTTCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL966209 0.78 CYP1A2 (0.43) HTTCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL15715274 0.78 MAPT (0.48) HTTCYP1A2CYP3A4CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2435408-B1 METHOD FOR PRODUCING FLUPIRTINE CORDEN PHARMA INTERNAT GMBH (DE) 2015-01-07 — — EP claimed
WO-2013080215-A1 AN IMPROVED PROCESS FOR THE PREPARATION OF FLUPIRTINE AND PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF ARCH PHARMALABS LIMITED (IN) 2013-06-06 — — WO claimed
WO-2012004391-A1 PROCESS FOR THE PREPARATION OF FLUPIRTINE MALEATE K.H.S. PHARMA HOLDING GMBH (DE) 2012-01-12 — — WO claimed
WO-2010136113-A1 METHOD FOR PRODUCING FLUPIRTINE CORDEN PHARMACHEM GMBH (DE) 2010-12-02 — — WO claimed
EP-0977736-B1 PROCESS FOR PREPARING PURE FLUPIRTIN MALEATE AND ITS MODIFICATION A AWD PHARMA GMBH & CO KG (DE) 2003-09-24 — — EP claimed
EP-0977736-A1 PROCESS FOR PREPARING PURE FLUPIRTIN MALEATE AND ITS MODIFICATION A ASTA Medica Aktiengesellschaft (DE) 2000-02-09 — — EP claimed
US-5959115-A MULTISTAGE REACTION OF CATALYTIC HYDROGENATION, ACYLATION AND SALT FORMATION ASTA MEDICA AKTIENGESELLSCHAFT (DE) 1999-09-28 — — US claimed
WO-1998047872-A1 PROCESS FOR PREPARING PURE FLUPIRTIN MALEATE AND ITS MODIFICATION A ASTA MEDICA AKTIENGESELLSCHAFT (DE) 1998-10-29 — — WO claimed
EP-0199951-B1 PROCESS FOR THE PREPARATION OF 2-AMINO-3-NITRO-6-(4-FLUOROBENZYLAMINO) PYRIDINE AND OF 2-AMINO-3-CARBETHOXYAMINO-6-(4-FLUOROBENZYLAMINO) PYRIDINE ASTA Pharma Aktiengesellschaft (DE) 1991-01-23 — — EP claimed
US-4785110-A Process for the production of 2-amino-3-nitro-6-(4-fluorobenzylamino)-pyridine DEGUSSA AKTIENGESELLSCHAFT (DE) 1988-11-15 — — US claimed
EP-0199951-A2 Process for the preparation of 2-amino-3-nitro-6-(4-fluorobenzylamino) pyridine and of 2-amino-3-carbethoxyamino-6-(4-fluorobenzylamino) pyridine ASTA Pharma Aktiengesellschaft (DE) 1986-11-05 — — EP claimed
JP-61221172-A — — None — — JP disclosed
CN-109053563-B Method for preparing flupirtine hydrochloride 四川青木制药有限公司 2022-03-29 — — CN disclosed
US-10494404-B2 Quinolinium conjugates of cyclosporin UCL BUSINESS PLC (GB) 2019-12-03 — — US disclosed
US-20170349632-A1 QUINOLIUM CONJUGATES OF CYCLOSPORIN UCL BUSINESS PLC (GB) 2017-12-07 — — US disclosed
EP-0199951-A2 Process for the preparation of 2-amino-3-nitro-6-(4-fluorobenzylamino) pyridine and of 2-amino-3-carbethoxyamino-6-(4-fluorobenzylamino) pyridine ASTA Pharma Aktiengesellschaft (DE) 1986-11-05 — — EP disclosed
JP-S61221172-A MANUFACTURE OF 2-AMINO-3-NITRO-6-(4-FLUORO-BENZYLAMINO)- PYRIDINE DEGUSSA 1986-10-01 — — JP disclosed
US-4554281-A 2-Amino-3-acylamino-6-benzylamino-pyridine-derivative having antiepileptic action DEGUSSA AKTIENGESELLSCHAFT (DE) 1985-11-19 — — US disclosed
US-4481205-A ANTIPHLOGISTIC, ANALGESIC DEGUSSA AKTIENGESELLSCHAFT (DE) 1984-11-06 — — US disclosed
EP-0110091-A1 Derivatives of 2-amino-3-acylamino-6-benzylamino pyridine with an anti-epileptic activity Degussa Aktiengesellschaft (DE) 1984-06-13 — — EP 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-10494404-B2 Quinolinium conjugates of cyclosporin SQOR, SHMT2, CS HTT 1329/4885CYP1A2 919/4885CYP3A4 731/4885
US-20170349632-A1 QUINOLIUM CONJUGATES OF CYCLOSPORIN SHMT2, CS, SQOR HTT 1637/4885CYP1A2 654/4885CYP3A4 580/4885

“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.