Sugi Predict

Sugi Predict / Compounds / SCHEMBL2214742

SCHEMBL2214742

SCHEMBL2214742

N#CCCCc1ccccc1[N+](=O)[O-]

nearest known ligand 0.67

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 8/20 0.67
▸ HPGD P15428 1/20 0.67
▸ TSHR P16473 1/20 0.53
▸ SIGMAR1 Q99720 1/20 0.44
▸ POLB P06746 2/20 0.43
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ CYP2C19 P33261 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ ACHE P22303 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40

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
SCHEMBL8334178 0.89 ALDH1A1 (0.71) ALDH1A1HPGDTSHRSIGMAR1POLB
SCHEMBL3237701 0.84 ALDH1A1 (0.55) ALDH1A1HPGDTSHRSIGMAR1HTT
SCHEMBL2335721 0.81 ALDH1A1 (0.49) ALDH1A1HPGDTSHRSIGMAR1POLB
SCHEMBL181041 0.80 ALDH1A1 (1.00) ALDH1A1HPGDTSHRPOLBHTT
SCHEMBL4656748 0.80 VCAM1 (0.49) ALDH1A1HPGDTSHRPOLBMEN1
SCHEMBL4657144 0.80 TSHR (0.49) ALDH1A1HPGDTSHRMAPTACHE
SCHEMBL10523069 0.79 ALDH1A1 (0.53) ALDH1A1HPGDTSHRSIGMAR1HTT
SCHEMBL3202573 0.79 ALDH1A1 (0.72) ALDH1A1HPGDTSHRSIGMAR1MEN1
SCHEMBL8867793 0.78 ALDH1A1 (0.60) ALDH1A1HPGDTSHRSIGMAR1HTT
SCHEMBL4658079 0.77 ALDH1A1 (0.41) ALDH1A1HPGDTSHRPOLBMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1369412-B1 Process for the preparation of 5-nitro-3,4-dihydro-1(2H)-naphthalenone, 1,5-naphthalendiamine and 1,5-naphthalendiisocyanate BAYER MATERIALSCIENCE AG (DE) 2011-07-27 — — EP claimed
CN-100343225-C Process for producing 5-nitro-3,4-dihydro-1(2h)-naphthalinone, 1-5-naphthalenediamine and 1,5-naphthalene diisocyanate BAYER AG (DE) 2007-10-17 — — CN claimed
US-7202378-B2 Process for producing 5-nitro-3,4-dihydro-1(H)-naphthalinone, 1,5-naphthalenediamine and 1,5-naphthalene diisocyanate BAYER MATERIALSCIENCE AG (DE) 2007-04-10 — — US claimed
US-7202384-B2 Process for producing 5-nitro-3,4-dihydro-1(2H)-naphthalinone, 1,5-naphthalenediamine and 1,5-naphthalene diisocyanate BAYER MATERIALSCIENCE AKTIENGESELLSCHAFT (DE) 2007-04-10 — — US claimed
CN-1275934-C Process for the production of 1, 5-naphthalenediamine BAYER AG (DE) 2006-09-20 — — CN claimed
US-20060183946-A1 Process for producing 5-nitro-3,4-dihydro-1(H)-naphthalinone, 1,5-naphthalenediamine and 1,5-naphthalene diisocyanate COVESTRO DEUTSCHLAND AG (DE) 2006-08-17 — — US claimed
US-20060178526-A1 Process for producing 5-nitro-3,4-dihydro-1(2H)-naphthalinone, 1,5-naphthalenediamine and 1,5-naphthalene diisocyanate COVESTRO DEUTSCHLAND AG (DE) 2006-08-10 — — US claimed
US-7057071-B2 Process for producing 5-nitro-3,4-dihydro-1(2H)-naphthalinone, 1-5-naphthalenediamine and 1,5-naphthalene diisocyanate BAYER MATERIALSCIENCE AG (DE) 2006-06-06 — — US claimed
CN-1483017-A Process for the production of 1, 5-naphthalenediamine 拜尔公司 2004-03-17 — — CN claimed
US-6706924-B2 INCLUDES A STEP IN WHICH ORTHO-NITROTOLUENE IS REACTED WITH ONE OR MORE ACRYLIC ACID DERIVATIVES SUCH AS ACRYLONITRILE BAYER AKTIENGESELLSCHAFT (DE) 2004-03-16 — — US claimed
CN-1467195-A Process for producing 5-nitro-3,4-dihydro-1(2h)-naphthalinone, 1-5-naphthalenediamine and 1,5-naphthalene diisocyanate — 2004-01-14 — — CN claimed
US-20030229252-A1 Process for producing 5-nitro-3,4-dihydro-1(2H)-naphthalinone, 1-5-naphthalenediamine and 1,5-naphthalene diisocyanate COVESTRO DEUTSCHLAND AG (DE) 2003-12-11 — — US claimed
EP-1369412-A1 Process for the preparation of 5-nitro-3,4-dihydro-1(2H)-naphthalenone, 1,5-naphthalendiamine and 1,5-naphthalendiisocyanate BAYER AG (DE) 2003-12-10 — — EP claimed
EP-1345888-A1 METHOD FOR THE PRODUCTION OF 1,5-NAPHTHALENEDIAMINE Bayer Aktiengesellschaft (DE) 2003-09-24 — — EP claimed
US-20020103401-A1 Process for the production of 1,5-naphthalenediamine BAYER AKTIENGESELLSCHAFT (DE) 2002-08-01 — — US claimed
WO-2002051792-A1 METHOD FOR THE PRODUCTION OF 1,5-NAPHTHALENEDIAMINE BAYER AKTIENGESELLSCHAFT (DE) 2002-07-04 — — WO claimed
EP-1369412-B1 Process for the preparation of 5-nitro-3,4-dihydro-1(2H)-naphthalenone, 1,5-naphthalendiamine and 1,5-naphthalendiisocyanate BAYER MATERIALSCIENCE AG (DE) 2011-07-27 — — EP disclosed
EP-1568681-B1 PROCESS FOR PRODUCING 1,5-DIAMINONAPHTHALENE MITSUI CHEMICALS INC (JP) 2010-04-28 — — EP disclosed
EP-0013071-A1 Pyrimidinone derivatives, processes for preparing them and pharmaceutical compositions containing them SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1980-07-09 — — EP disclosed
WO-1980000966-A1 NEW HISTAMINE H2-ANTAGONISTS SMITH KLINE FRENCH LAB (GB) 1980-05-15 — — 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 (1 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-20020103401-A1 Process for the production of 1,5-naphthalenediamine BBOX1, CYP4B1, NAT1 ALDH1A1 455/4885HPGD 119/4885TSHR 3810/4885

“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.