SCHEMBL4658271

SCHEMBL4658271

O=C(O)CCCc1cc(Cl)ccc1[N+](=O)[O-]

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ACLY P53396 1/20 0.49
NPC1 O15118 3/20 0.48
RAB9A P51151 3/20 0.48
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
TSHR P16473 1/20 0.47
MAPK1 P28482 1/20 0.47
CYP1A2 P05177 1/20 0.47
POLB P06746 2/20 0.46
MAPT P10636 3/20 0.45
ALDH1A1 P00352 1/20 0.45
FBP1 P09467 2/20 0.42
GRIA2 P42262 1/20 0.42
ATM Q13315 1/20 0.42
LMNA P02545 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NOS3 P29474 1/20 0.41
NOS1 P29475 1/20 0.41
NOS2 P35228 1/20 0.41

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
SCHEMBL30435068 1.00 ACLY (0.49) ACLYNPC1RAB9AKMT2AMEN1
SCHEMBL30434455 0.91 KMT2A (0.50) ACLYNPC1RAB9AKMT2AMEN1
SCHEMBL4657838 0.88 NPC1 (0.48) ACLYNPC1RAB9AKMT2AMEN1
SCHEMBL4659391 0.83 MAPT (0.48) NPC1RAB9AKMT2AMEN1TSHR
SCHEMBL27621707 0.82 MAPT (0.49) NPC1RAB9AKMT2AMEN1TSHR
SCHEMBL4658987 0.82 NPC1 (0.49) NPC1RAB9AKMT2AMEN1TSHR
SCHEMBL28447451 0.82 CYP1A2 (0.47) KMT2AMEN1CYP1A2MAPTALDH1A1
SCHEMBL6100112 0.81 CYP1A2 (0.55) NPC1RAB9AKMT2AMEN1TSHR
SCHEMBL16397627 0.81 CYP1A2 (0.55) NPC1RAB9AKMT2AMEN1TSHR
SCHEMBL4656411 0.81 ALDH1A1 (0.54) NPC1RAB9AKMT2AMEN1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111479813-B Triazolobenzazepines as vasopressin V1A receptor antagonists 吉瑞工厂 2023-03-21 CN disclosed
CN-111479813-A Triazolobenzazepines as vasopressin V1A receptor antagonists 吉瑞工厂 2020-07-31 CN disclosed
EP-1295864-B1 PROCESS FOR PREPARATION OF 1,5-DIAMINONAPHTHALENES MITSUI CHEMICALS POLYURETHANES (JP) 2008-12-03 EP disclosed
US-6737548-B2 REACTING AN ORTHO-ALKYLNITROBENZENE WITH VINYL COMPOUND IN PRESENCE OF A BASE TO PRODUCE AN INTERMEDIATE, CYCLIZING THE INTERMEDIATE TO FORM 5-NITRO-1-TETRALONE COMPOUND, THEN REACTING WITH AMINE TO PRODUCE DIAMINONAPHTHALENE COMPOUNDS MITSUI CHEMICALS, INC. (JP) 2004-05-18 US disclosed
CN-1464874-A Process for preparation of 1,5-diaminonaphthalenes MITSUI CHEMICALS INC (JP) 2003-12-31 CN disclosed
US-20030176722-A1 Process for preparation of 1,5-diaminonaphthalenes MITSUI CHEMICALS POLYURETHANES, INC. (JP) 2003-09-18 US disclosed
EP-1295864-A1 PROCESS FOR PREPARATION OF 1,5-DIAMINONAPHTHALENES Mitsui Chemicals, Inc. (JP) 2003-03-26 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 (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-20030176722-A1 Process for preparation of 1,5-diaminonaphthalenes NOX5, NOX1, DPYD ACLY 2774/4885NPC1 3789/4885RAB9A 4030/4885

“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.