SCHEMBL1284435

SCHEMBL1284435

OC1(c2ccccc2)N=c2ccccc2=N1

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.32
MEN1 O00255 2/20 0.32
RAB9A P51151 2/20 0.32
OPRM1 P35372 2/20 0.32
OPRK1 P41145 2/20 0.32
OPRL1 P41146 2/20 0.32
P2RX1 P51575 1/20 0.32
P2RX3 P56373 1/20 0.32
P2RX4 Q99571 1/20 0.32
P2RX7 Q99572 1/20 0.32
NPC1 O15118 1/20 0.32
BACE1 P56817 1/20 0.32
BACE2 Q9Y5Z0 1/20 0.32
LMNA P02545 1/20 0.32
GLA P06280 1/20 0.32
THRB P10828 1/20 0.32
CYP2C9 P11712 1/20 0.32
BLM P54132 1/20 0.32
PMP22 Q01453 1/20 0.32
AKR1C1 Q04828 1/20 0.31

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
SCHEMBL6653997 0.80 KDM4E (0.31) RAB9ANPC1LMNABLMPMP22
SCHEMBL11264366 0.74 LMNA (0.38) KMT2AOPRM1OPRK1OPRL1BACE1
SCHEMBL9125159 0.73 CHRNB2 (0.35) KMT2AMEN1RAB9AOPRM1OPRK1
SCHEMBL3356415 0.73 KDM4E (0.32) RAB9ANPC1BACE1LMNABLM
SCHEMBL434296 0.72 KMT2A (0.33) KMT2AMEN1RAB9AOPRM1OPRK1
SCHEMBL1067618 0.72 OPRL1 (0.33) KMT2AMEN1RAB9AOPRM1OPRK1
SCHEMBL3969821 0.70 BACE1 (0.32) KMT2AOPRM1OPRK1OPRL1BACE1
SCHEMBL11852608 0.70 BACE1 (0.32) KMT2AOPRM1OPRK1OPRL1BACE1
SCHEMBL28956318 0.70 AKR1C1 (0.41) KMT2ABACE1BACE2LMNAGLA
SCHEMBL216066 0.68 LMNA (0.35) KMT2ABACE1BACE2LMNAGLA

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 9 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-8592463-B2 Hedgehog pathway antagonists and therapeutic applications thereof SIENA BIOTECH S.P.A. (IT) 2013-11-26 US disclosed
EP-2440544-B1 HEDGEHOG PATHWAY ANTAGONISTS AND THERAPEUTIC APPLICATIONS THEREOF SIENA BIOTECH SPA (IT) 2013-08-14 EP disclosed
EP-2440544-A1 HEDGEHOG PATHWAY ANTAGONISTS AND THERAPEUTIC APPLICATIONS THEREOF Siena Biotech S.p.A. (IT) 2012-04-18 EP disclosed
US-20120088752-A1 HEDGEHOG PATHWAY ANTAGONISTS AND THERAPEUTIC APPLICATIONS THEREOF SIENA BIOTECH S.P.A. (IT) 2012-04-12 US disclosed
WO-2010142426-A1 HEDGEHOG PATHWAY ANTAGONISTS AND THERAPEUTIC APPLICATIONS THEREOF SIENA BIOTECH S.P.A. (IT) 2010-12-16 WO disclosed
US-20100286114-A1 HEDGEHOG PATHWAY ANTAGONISTS AND THERAPEUTIC APPLICATIONS THEREOF SIENA BIOTECH S.P.A. (IT) 2010-11-11 US disclosed
EP-2227456-A2 HEDGEHOG PATHWAY ANTAGONISTS AND THERAPEUTIC APPLICATIONS THEREOF Siena Biotech S.p.A. (IT) 2010-09-15 EP disclosed
WO-2009074300-A2 HEDGEHOG PATHWAY ANTAGONISTS AND THERAPEUTIC APPLICATIONS THEREOF SIENA BIOTECH S.P.A. (IT) 2009-06-18 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 (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-20120088752-A1 HEDGEHOG PATHWAY ANTAGONISTS AND THERAPEUTIC APPLICATIONS THEREOF SHH, GLI1, SMO KMT2A 3040/4885MEN1 3442/4885RAB9A 1078/4885
US-20100286114-A1 HEDGEHOG PATHWAY ANTAGONISTS AND THERAPEUTIC APPLICATIONS THEREOF SHH, GLI1, SMO KMT2A 3040/4885MEN1 3442/4885RAB9A 1078/4885

“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.