SCHEMBL3433769

SCHEMBL3433769

CCCCC(=O)Nc1nc2c(c(-c3ccccc3Cl)n1)CN(C(=O)c1ccccc1)CC2

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ADORA1 P30542 1/20 0.41
TSHR P16473 1/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.39
SMO Q99835 1/20 0.39
GAA P10253 2/20 0.39
LMNA P02545 2/20 0.39
MTHFD2 P13995 1/20 0.39
KCNK3 O14649 1/20 0.39
KCNK9 Q9NPC2 1/20 0.39
CFTR P13569 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
GPBAR1 Q8TDU6 1/20 0.38

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
SCHEMBL3524088 0.85 LMNA (0.47) MAPTSMN1; SMN2ADORA1GAALMNA
SCHEMBL3528234 0.84 PRLHR (0.42) PTGDR2SMOGAALMNAMTHFD2
SCHEMBL3435180 0.78 ADORA1 (0.43) SMN1; SMN2ADORA1TSHR
SCHEMBL15662612 0.77 P2RX7 (0.53) PTGDR2SMOGAALMNAMTHFD2
SCHEMBL15662611 0.76 SMO (0.45) PTGDR2SMOGAALMNAMTHFD2
SCHEMBL3434578 0.73 ALDH1A1 (0.47) MAPTSMN1; SMN2GAALMNACFTR
SCHEMBL116629 0.70 LMNA (0.47) MAPTSMN1; SMN2GAALMNAKDM4E
SCHEMBL115543 0.69 AKT1 (0.51) LMNACFTR
SCHEMBL167919 0.67 LMNA (0.46) MAPTSMN1; SMN2GAALMNAKDM4E
SCHEMBL20611746 0.63 KCNH2 (0.62) PTGDR2LMNAMTHFD2CFTR

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-8716302-B2 Compounds for inducing cellular apoptosis QUEEN MARY & WESTFIELD COLLEGE (GB) 2014-05-06 US disclosed
US-8716302-B2 Compounds for inducing cellular apoptosis QUEEN MARY & WESTFIELD COLLEGE (GB) 2014-05-06 US disclosed
US-20120101115-A1 Compounds For Inducing Cellular Apoptosis QUEEN MARY AND WESTFIELD COLLEGE (GB) 2012-04-26 US disclosed
US-20120101115-A1 Compounds For Inducing Cellular Apoptosis QUEEN MARY AND WESTFIELD COLLEGE (GB) 2012-04-26 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-20120101115-A1 Compounds For Inducing Cellular Apoptosis BAD, BAX, CASP3 MAPT 2931/4885SMN1; SMN2 3964/4885ADORA1 4190/4885

“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.