SCHEMBL3348783

SCHEMBL3348783

Cc1cc(-c2ccc(Cl)c(N)c2)nn1CCO

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.39
POLB P06746 2/20 0.39
NPC1 O15118 1/20 0.39
LMNA P02545 1/20 0.39
RAB9A P51151 1/20 0.39
MAPT P10636 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ALDH1A1 P00352 1/20 0.38
MAPK1 P28482 1/20 0.38
P2RX7 Q99572 5/20 0.37
HDAC3 O15379 3/20 0.37
HDAC4 P56524 3/20 0.37
HDAC1 Q13547 3/20 0.37
HDAC7 Q8WUI4 3/20 0.37
HDAC2 Q92769 3/20 0.37
HDAC10 Q969S8 3/20 0.37
HDAC11 Q96DB2 3/20 0.37
HDAC8 Q9BY41 3/20 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
SCHEMBL2614654 0.86 ALDH1A1 (0.41) TSHRPOLBNPC1LMNARAB9A
SCHEMBL3348778 0.83 P2RX7 (0.46) TSHRPOLBNPC1LMNARAB9A
SCHEMBL1464132 0.76 HDAC3 (0.37) TSHRPOLBNPC1LMNARAB9A
SCHEMBL4895627 0.76 SMN1; SMN2 (0.51) POLBNPC1LMNARAB9AMAPT
SCHEMBL4898612 0.76 NPC1 (0.47) NPC1LMNARAB9AMAPTSMN1; SMN2
SCHEMBL4889199 0.75 SMN1; SMN2 (0.47) POLBNPC1LMNARAB9AMAPT
SCHEMBL4894653 0.75 CA1 (0.41) NPC1LMNARAB9AMAPTSMN1; SMN2
SCHEMBL3346285 0.74 HDAC3 (0.38) TSHRPOLBNPC1LMNARAB9A
SCHEMBL2609208 0.73 CYP11B1 (0.38) TSHRPOLBNPC1LMNARAB9A
SCHEMBL1465254 0.72 HDAC3 (0.36) TSHRPOLBNPC1LMNARAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100160384-A1 DIHYDROPYRIDONE AMIDES AS P2X7 MODULATORS ROCHE PALO ALTO LLC 2010-06-24 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-20100160384-A1 DIHYDROPYRIDONE AMIDES AS P2X7 MODULATORS P2RY1, P2RX6, P2RX3 TSHR 1051/4885POLB 4104/4885NPC1 1906/4885

“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.