SCHEMBL532160

SCHEMBL532160

O=C(NC1CC1)c1ccc(F)cc1

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.83
NPC1 O15118 4/20 0.83
KMT2A Q03164 4/20 0.63
SMN1; SMN2 Q16637 2/20 0.62
MEN1 O00255 1/20 0.62
MCHR1 Q99705 2/20 0.60
SLC6A12 P48065 1/20 0.60
TMEM97 Q5BJF2 1/20 0.60
SIGMAR1 Q99720 1/20 0.60
CTSB P07858 1/20 0.59
CTSS P25774 1/20 0.59
CTSK P43235 1/20 0.59
CTSC P53634 1/20 0.59
POLB P06746 2/20 0.57
MAPT P10636 1/20 0.57
HPGD P15428 2/20 0.56
CYP1A2 P05177 1/20 0.56
CYP2C19 P33261 1/20 0.56
GRM5 P41594 1/20 0.55
USP2 O75604 1/20 0.55

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
SCHEMBL23573433 0.93 RAB9A (0.73) RAB9ANPC1KMT2ASMN1; SMN2MEN1
SCHEMBL3954763 0.93 RAB9A (0.73) RAB9ANPC1KMT2ASMN1; SMN2MEN1
SCHEMBL25601971 0.91 NPC1 (0.71) RAB9ANPC1KMT2ASMN1; SMN2MEN1
SCHEMBL3809790 0.91 NPC1 (0.71) RAB9ANPC1KMT2ASMN1; SMN2MEN1
SCHEMBL24359915 0.91 NPC1 (0.71) RAB9ANPC1KMT2ASMN1; SMN2MEN1
SCHEMBL28702883 0.91 NPC1 (1.00) RAB9ANPC1KMT2ASMN1; SMN2MEN1
Hydrochloric Acid SCHEMBL25258854 0.90 NPC1 (0.69) RAB9ANPC1KMT2ASMN1; SMN2MEN1
SCHEMBL30914509 0.88 NPC1 (0.71) RAB9ANPC1KMT2ASMN1; SMN2MEN1
SCHEMBL1424863 0.88 NPC1 (0.71) RAB9ANPC1KMT2ASMN1; SMN2MEN1
SCHEMBL4927945 0.86 NPC1 (0.64) RAB9ANPC1KMT2ASMN1; SMN2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105431436-B Pyrrolo [2,3-D ] pyrimidine derivatives, processes for their preparation and their use as kinase inhibitors 内尔维阿诺医学科学有限公司 2017-11-28 CN claimed
EP-2702063-A1 BICYCLIC PYRIDAZINE COMPOUNDS AS PIM INHIBITORS Amgen Inc. (US) 2014-03-05 EP claimed
WO-2012148775-A1 BICYCLIC PYRIDAZINE COMPOUNDS AS PIM INHIBITORS AMGEN INC. (US) 2012-11-01 WO claimed
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
US-9187497-B2 Substituted pyrido[3,2-e]pyrrolo[1,2-a]pyrazines as inhibitors of poly(ADP-ribose)polymerase (PARP) TAKEDA PHAMACEUTICAL COMPANY LIMITED (JP) 2015-11-17 US disclosed
US-9187497-B2 Substituted pyrido[3,2-e]pyrrolo[1,2-a]pyrazines as inhibitors of poly(ADP-ribose)polymerase (PARP) TAKEDA PHAMACEUTICAL COMPANY LIMITED (JP) 2015-11-17 US disclosed
US-9187497-B2 Substituted pyrido[3,2-e]pyrrolo[1,2-a]pyrazines as inhibitors of poly(ADP-ribose)polymerase (PARP) TAKEDA PHAMACEUTICAL COMPANY LIMITED (JP) 2015-11-17 US disclosed
CN-102341394-B Poly (ADP-Ribose) Polymerase (PARP) Inhibitors TAKEDA PHARMACEUTICAL 2015-04-15 CN disclosed
US-8980902-B2 Poly (ADP-ribose) polymerase (PARP) inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-03-17 US disclosed
US-8980902-B2 Poly (ADP-ribose) polymerase (PARP) inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-03-17 US disclosed
WO-2011014681-A1 Poly (ADP-Ribose) Polymerase (PARP) INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-02-03 WO disclosed
WO-2010111626-A2 POLY (ADP-RIBOSE) POLYMERASE (PARP) INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-30 WO disclosed
US-20100190763-A1 Poly (ADP-Ribose) Polymerase (PARP) Inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-07-29 US disclosed
US-20100190763-A1 Poly (ADP-Ribose) Polymerase (PARP) Inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-07-29 US disclosed
US-20100190763-A1 Poly (ADP-Ribose) Polymerase (PARP) Inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-07-29 US disclosed
WO-2010085570-A1 Poly (ADP-Ribose) Polymerase (PARP) Inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-07-29 WO disclosed
WO-2010085570-A1 Poly (ADP-Ribose) Polymerase (PARP) Inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-07-29 WO disclosed
EP-1995241-B1 Inhibitors of ion channels ICAGEN INC (US) 2010-03-17 EP disclosed
EP-1995241-A1 Inhibitors of ion channels ICAgen, Incorporated (US) 2008-11-26 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-20100190763-A1 Poly (ADP-Ribose) Polymerase (PARP) Inhibitors PARP1, PARP3, PARP2 RAB9A 2576/4885NPC1 3711/4885KMT2A 1299/4885

“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.