SCHEMBL4319595

SCHEMBL4319595

O=C(O)c1nnc(CCc2ccccc2)s1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.57
RAB9A P51151 7/20 0.56
NPC1 O15118 5/20 0.56
SRC P12931 2/20 0.56
CASP3 P42574 2/20 0.56
SENP7 Q9BQF6 2/20 0.56
SENP6 Q9GZR1 1/20 0.56
LMNA P02545 2/20 0.55
ALDH1A1 P00352 2/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
POLB P06746 3/20 0.51
HPGD P15428 2/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
KDM4E B2RXH2 1/20 0.51
USP2 O75604 1/20 0.51
HSD17B10 Q99714 1/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
ABL1 P00519 2/20 0.50
F2 P00734 1/20 0.48

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
SCHEMBL3911634 0.87 ATM (0.58) ATMRAB9ANPC1SRCCASP3
SCHEMBL19793299 0.85 FFAR1 (0.47) ATMRAB9ANPC1SRCCASP3
SCHEMBL17967116 0.85 FFAR1 (0.52) RAB9ANPC1SRCCASP3SENP7
SCHEMBL19207619 0.84 TSHR (0.56) RAB9ANPC1LMNAALDH1A1SMN1; SMN2
SCHEMBL20901779 0.83 LMNA (0.52) ATMRAB9ANPC1SRCCASP3
SCHEMBL19801255 0.83 LMNA (0.52) ATMRAB9ANPC1SRCCASP3
SCHEMBL20266311 0.81 ATM (0.74) ATMRAB9ANPC1SRCCASP3
SCHEMBL4315897 0.81 KDM4E (0.63) ATMRAB9ANPC1SRCCASP3
SCHEMBL19793298 0.76 GLS (0.49) RAB9ANPC1ALDH1A1SMN1; SMN2POLB
SCHEMBL13754885 0.73 RAB9A (0.50) ATMRAB9ANPC1SRCCASP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180022742-A1 AUTOTAXIN INHIBITORS CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2018-01-25 US disclosed
US-7566781-B2 Imidazopyridine compound BANYU PHARMACEUTICAL CO., LTD. (JP) 2009-07-28 US disclosed
US-20070249659-A1 melanin concentrating hormone receptor antagonist; preventing or treating vascular system diseases, nervous system disorders, metabolic disorders, urogenital diseases, respiratory diseases disorders; N-(2-ethyl-3-methylimidazo[1,2-a]pyridin-6-yl)-3-fluoro-4-(pyridin-2-ylmethoxy)benzamide BANYU PHARMACEUTICAL., LTD. (JP) 2007-10-25 US disclosed
EP-1748048-A1 IMIDAZOPYRIDINE COMPOUND BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-01-31 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-20070249659-A1 melanin concentrating hormone receptor antagonist; preventing or treating vascular system diseases, nervous system disorders, metabolic disorders, urogenital diseases, respiratory diseases disorders; N-(2-ethyl-3-methylimidazo[1,2-a]pyridin-6-yl)-3-fluoro-4-(pyridin-2-ylmethoxy)benzamide MC1R, MCHR2, MCHR1 ATM 2837/4885RAB9A 2799/4885NPC1 2072/4885
US-20180022742-A1 AUTOTAXIN INHIBITORS ENPP2, RNASE1, ATXN10 ATM 3468/4885RAB9A 810/4885NPC1 4099/4885

“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.