SCHEMBL1625656

SCHEMBL1625656

O=C(NCCN1CCCC1)[C@@H]1CCCN(c2ccc(Cl)c(-c3nc4cc(F)ccc4[nH]3)c2)C1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.41
RAB9A P51151 2/20 0.41
UBE2N P61088 1/20 0.41
GPBAR1 Q8TDU6 4/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
CYP2D6 P10635 2/20 0.40
TSHR P16473 1/20 0.40
NOTUM Q6P988 1/20 0.39
DGAT2 Q96PD7 3/20 0.39
NPC1 O15118 1/20 0.38
NAMPT P43490 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37

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
SCHEMBL1625651 1.00 HSD17B10 (0.41) HSD17B10RAB9AUBE2NGPBAR1SMN1; SMN2
SCHEMBL1625655 0.94 SMN1; SMN2 (0.46) HSD17B10RAB9AUBE2NGPBAR1SMN1; SMN2
SCHEMBL1284004 0.94 SMN1; SMN2 (0.46) HSD17B10RAB9AUBE2NGPBAR1SMN1; SMN2
SCHEMBL1625052 0.93 HSD17B10 (0.43) HSD17B10RAB9AUBE2NGPBAR1SMN1; SMN2
SCHEMBL1625240 0.93 HSD17B10 (0.43) HSD17B10RAB9AUBE2NGPBAR1SMN1; SMN2
SCHEMBL1623373 0.92 EPHX2 (0.42) TSHR
SCHEMBL1625167 0.91 GPBAR1 (0.43) HSD17B10RAB9AGPBAR1SMN1; SMN2CYP2D6
SCHEMBL1624935 0.91 GPBAR1 (0.43) HSD17B10RAB9AGPBAR1SMN1; SMN2CYP2D6
SCHEMBL1623594 0.90 CYP1A2 (0.43) RAB9AGPBAR1SMN1; SMN2CYP2D6TSHR
SCHEMBL1625628 0.90 SMN1; SMN2 (0.47) HSD17B10RAB9AUBE2NGPBAR1SMN1; SMN2

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-8835648-B2 Hedgehog pathway antagonists and therapeutic applications thereof SIENA BIOTECH S.P.A. (IT) 2014-09-16 US disclosed
US-8835648-B2 Hedgehog pathway antagonists and therapeutic applications thereof SIENA BIOTECH S.P.A. (IT) 2014-09-16 US disclosed
US-20120088752-A1 HEDGEHOG PATHWAY ANTAGONISTS AND THERAPEUTIC APPLICATIONS THEREOF SIENA BIOTECH S.P.A. (IT) 2012-04-12 US disclosed
US-20120088752-A1 HEDGEHOG PATHWAY ANTAGONISTS AND THERAPEUTIC APPLICATIONS THEREOF SIENA BIOTECH S.P.A. (IT) 2012-04-12 US 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-20120088752-A1 HEDGEHOG PATHWAY ANTAGONISTS AND THERAPEUTIC APPLICATIONS THEREOF SHH, GLI1, SMO HSD17B10 3156/4885RAB9A 1078/4885UBE2N 3740/4885

“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.