SCHEMBL1283079

SCHEMBL1283079

CCCCn1c(CCc2ccc(OCCc3ccc(Cl)cc3)cc2)nc2ccc(NCCCN(CC)CC)cc21

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.42
TP53 P04637 4/20 0.42
MAPT P10636 2/20 0.42
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
HTT P42858 1/20 0.41
RECQL P46063 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
POLB P06746 1/20 0.41
AGER Q15109 6/20 0.40
DRD2 P14416 3/20 0.40
DRD3 P35462 3/20 0.40
BRD4 O60885 1/20 0.37
CREBBP Q92793 1/20 0.37
CNR2 P34972 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
SCHEMBL1283017 0.89 SMN1; SMN2 (0.47) SMN1; SMN2TP53MAPTCYP1A2CYP3A4
SCHEMBL1615316 0.89 AGER (0.44) SMN1; SMN2TP53MAPTCYP1A2CYP3A4
SCHEMBL14417419 0.88 SMN1; SMN2 (0.46) SMN1; SMN2TP53MAPTCYP1A2CYP3A4
SCHEMBL1283462 0.87 SMN1; SMN2 (0.44) SMN1; SMN2TP53MAPTCYP1A2CYP3A4
SCHEMBL1282818 0.85 AGER (0.47) SMN1; SMN2TP53MAPTCYP1A2CYP3A4
SCHEMBL1283385 0.84 SMN1; SMN2 (0.46) SMN1; SMN2TP53MAPTCYP1A2CYP3A4
SCHEMBL1283644 0.83 DRD2 (0.46) SMN1; SMN2TP53AGERDRD2DRD3
SCHEMBL1283550 0.82 SMN1; SMN2 (0.44) SMN1; SMN2TP53MAPTCYP1A2CYP3A4
SCHEMBL1282449 0.81 DRD3 (0.50) SMN1; SMN2TP53MAPTCYP1A2CYP2D6
SCHEMBL1614049 0.81 DRD3 (0.46) TP53MAPTDRD2DRD3BRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120088778-A1 AZOLE DERIVATIVES AND FUSED BICYCLIC AZOLE DERIVATIVES AS THERAPEUTIC AGENTS TRANSTECH PHARMA, INC. (US) 2012-04-12 US disclosed
US-20100256119-A1 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents TRANSTECH PHARMA, INC. 2010-10-07 US disclosed
US-20100256119-A1 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents TRANSTECH PHARMA, INC. 2010-10-07 US disclosed
US-7737285-B2 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents TRANSTECH PHARMA, INC. (US) 2010-06-15 US disclosed
US-7737285-B2 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents TRANSTECH PHARMA, INC. (US) 2010-06-15 US disclosed
US-7714013-B2 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents TRANSTECH PHARMA, INC. (US) 2010-05-11 US disclosed
US-7361678-B2 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents TRANSTECH PHARMA, INC. (US) 2008-04-22 US disclosed
US-7361678-B2 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents TRANSTECH PHARMA, INC. (US) 2008-04-22 US disclosed
US-20070213347-A1 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents TRANSTECH PHARMA (US) 2007-09-13 US disclosed
US-20070213347-A1 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents TRANSTECH PHARMA (US) 2007-09-13 US disclosed
US-20070021386-A1 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents TRANSTECH PHARMA (US) 2007-01-25 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 (4 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-20100256119-A1 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents AGER, S100A4, S100B SMN1; SMN2 3545/4885TP53 257/4885MAPT 526/4885
US-20070021386-A1 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents AGER, S100A4, S100B SMN1; SMN2 3253/4885TP53 238/4885MAPT 430/4885
US-20120088778-A1 AZOLE DERIVATIVES AND FUSED BICYCLIC AZOLE DERIVATIVES AS THERAPEUTIC AGENTS AGER, S100A4, S100B SMN1; SMN2 3253/4885TP53 238/4885MAPT 430/4885
US-20070213347-A1 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents AGER, S100A4, S100B SMN1; SMN2 3253/4885TP53 238/4885MAPT 430/4885

“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.