SCHEMBL3135552

SCHEMBL3135552

O=C(NC1CC1)c1ccc(Br)cc1

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.62
NPC1 O15118 5/20 0.62
SMN1; SMN2 Q16637 2/20 0.62
KMT2A Q03164 2/20 0.62
MEN1 O00255 1/20 0.62
MAPT P10636 1/20 0.57
CYP1A2 P05177 1/20 0.56
HPGD P15428 1/20 0.56
CYP2C19 P33261 1/20 0.56
SMYD3 Q9H7B4 3/20 0.54
OGG1 O15527 1/20 0.53
LMNA P02545 2/20 0.51
HDAC3 O15379 2/20 0.51
HDAC1 Q13547 2/20 0.51
HDAC2 Q92769 2/20 0.51
MMP2 P08253 1/20 0.50

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
SCHEMBL17185341 0.92 NPC1 (0.62) RAB9ANPC1SMN1; SMN2KMT2AMEN1
SCHEMBL4770266 0.92 NPC1 (0.67) RAB9ANPC1SMN1; SMN2KMT2AMEN1
SCHEMBL2254501 0.91 NPC1 (0.70) RAB9ANPC1SMN1; SMN2KMT2AMEN1
SCHEMBL4768172 0.91 NPC1 (0.70) RAB9ANPC1SMN1; SMN2KMT2AMEN1
SCHEMBL2636209 0.88 NAMPT (0.53) RAB9ANPC1SMN1; SMN2KMT2AMEN1
SCHEMBL3036579 0.88 HDAC4 (0.56) RAB9ANPC1SMN1; SMN2KMT2AMEN1
SCHEMBL6569206 0.86 RAB9A (0.65) RAB9ANPC1SMN1; SMN2KMT2AMEN1
SCHEMBL20551505 0.85 NPSR1 (0.54) RAB9ANPC1SMN1; SMN2CYP1A2HPGD
SCHEMBL28513976 0.84 RAB9A (0.50) RAB9ANPC1SMN1; SMN2KMT2AMEN1
SCHEMBL28512074 0.84 RAB9A (0.50) RAB9ANPC1SMN1; SMN2KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115710287-B Ring-opening boronation reaction method for cyclopropane compound under no metal catalysis 中国科学院兰州化学物理研究所 2024-01-09 CN disclosed
CN-115710287-A Ring-opening boronization reaction method of cyclopropane compound under condition of no metal catalysis 中国科学院兰州化学物理研究所 2023-02-24 CN disclosed
WO-2015161011-A1 BENZAMIDE CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2015-10-22 WO disclosed
WO-2015161014-A1 HETEROCYCLIC CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2015-10-22 WO disclosed
US-20100055071-A1 Anti-Viral Compounds SMITHKLINE BEECHAM CORPORATION 2010-03-04 US disclosed
US-20100004441-A1 N-(5-Membered Aromatic Ring)-Amido Anti-Viral Compounds SCHMITZ FRANZ ULRICH 2010-01-07 US disclosed
US-7629340-B2 N-(6-membered aromatic ring)-amido anti-viral compounds SMITHKLINE BEECHAM CORPORATION (US) 2009-12-08 US disclosed
US-7595398-B2 N-(5-membered aromatic ring)-amido anti-viral compounds SMITHKLINE BEECHAM CORPORATION (US) 2009-09-29 US disclosed
EP-2097405-A2 ANTI-VIRAL COMPOUNDS Smithkline Beecham Corporation (US) 2009-09-09 EP disclosed
US-20090099160-A1 4-(4-(Imidazol-4-Yl) Pyrimidin-2-Ylamino) Benzamides as CDK Inhibitors ASTRAZENECA AB (SE) 2009-04-16 US disclosed
CN-101331125-A N-(5-membered aromatic ring)-amido anti-viral compounds GENELABS TECH INC (US) 2008-12-24 CN disclosed
EP-1976829-A2 N-(6-MEMBERED AROMATIC RING)-AMIDO ANTI-VIRAL COMPOUNDS GENELABS TECHNOLOGIES, INC. (US) 2008-10-08 EP disclosed
EP-1971597-A2 N-(5-MEMBERED HETEROAROMATIC RING)-AMIDO ANTI-VIRAL COMPOUNDS GENELABS TECHNOLOGIES, INC. (US) 2008-09-24 EP disclosed
US-20080193411-A1 Anti-viral Compounds GENELABS TECHNOLOGIES, INC. 2008-08-14 US disclosed
WO-2008070447-A2 ANTI-VIRAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2008-06-12 WO disclosed
CN-101115752-A 4- (4- (imidazol-4-yl) pyrimidin-2-ylamino) benzamides as cdk inhibitors ASTRAZENECA AB (SE) 2008-01-30 CN disclosed
US-20070265265-A1 N-(5-MEMBERED AROMATIC RING)-AMIDO ANTI-VIRAL COMPOUNDS GENELABS TECHNOLOGIES, INC. 2007-11-15 US disclosed
US-20070265262-A1 N-(6-MEMBERED AROMATIC RING)-AMIDO ANTI-VIRAL COMPOUNDS GENELABS TECHNOLOGIES, INC. 2007-11-15 US disclosed
WO-2007070556-A2 N-(6-MEMBERED AROMATIC RING)-AMIDO ANTI-VIRAL COMPOUNDS GENELABS TECHNOLOGIES, INC. (US) 2007-06-21 WO disclosed
WO-2007070600-A2 N-(5-MEMBERED HETEROAROMATIC RING)-AMIDO ANTI-VIRAL COMPOUNDS GENELABS TECHNOLOGIES, INC. (US) 2007-06-21 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 (6 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-20080193411-A1 Anti-viral Compounds ZC3HAV1, ZC3HAV1L, SARS1 RAB9A 1092/4885NPC1 981/4885SMN1; SMN2 441/4885
US-20090099160-A1 4-(4-(Imidazol-4-Yl) Pyrimidin-2-Ylamino) Benzamides as CDK Inhibitors CCNI, CDK4, CDK3 RAB9A 3785/4885NPC1 4535/4885SMN1; SMN2 1922/4885
US-20070265262-A1 N-(6-MEMBERED AROMATIC RING)-AMIDO ANTI-VIRAL COMPOUNDS ZC3HAV1, HAVCR2, ZC3HAV1L RAB9A 609/4885NPC1 1321/4885SMN1; SMN2 1109/4885
US-20100055071-A1 Anti-Viral Compounds ZC3HAV1, ZC3HAV1L, SARS1 RAB9A 1092/4885NPC1 981/4885SMN1; SMN2 441/4885
US-20100004441-A1 N-(5-Membered Aromatic Ring)-Amido Anti-Viral Compounds ZC3HAV1, ZC3HAV1L, HAVCR2 RAB9A 487/4885NPC1 1259/4885SMN1; SMN2 1431/4885
US-20070265265-A1 N-(5-MEMBERED AROMATIC RING)-AMIDO ANTI-VIRAL COMPOUNDS ZC3HAV1, ZC3HAV1L, HAVCR2 RAB9A 487/4885NPC1 1259/4885SMN1; SMN2 1431/4885

“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.