SCHEMBL13657385

SCHEMBL13657385

CCCc1cccc(C(=O)N2CCNCC2)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 5/20 0.58
SIGMAR1 Q99720 1/20 0.56
MGLL Q99685 1/20 0.51
CNR2 P34972 1/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
TP53 P04637 2/20 0.49
RECQL P46063 1/20 0.49
GABRD O14764 1/20 0.49
GABRA1 P14867 1/20 0.49
GABRB1 P18505 1/20 0.49
GABRA5 P31644 1/20 0.49
GABRA3 P34903 1/20 0.49
GABRA2 P47869 1/20 0.49
GABRB2 P47870 1/20 0.49
GABRA4 P48169 1/20 0.49
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
ALDH1A1 P00352 2/20 0.48

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
SCHEMBL12736229 0.90 TP53 (0.58) MGLLSMN1; SMN2NPC1RAB9ATP53
SCHEMBL15986678 0.89 SIGMAR1 (0.59) PARP1SIGMAR1MGLLSMN1; SMN2NPC1
SCHEMBL1696388 0.86 NPC1 (0.63) MGLLSMN1; SMN2NPC1RAB9ATP53
SCHEMBL13650892 0.85 SIGMAR1 (0.55) PARP1SIGMAR1CNR2SMN1; SMN2NPC1
SCHEMBL13657383 0.84 SMN1; SMN2 (0.56) PARP1MGLLSMN1; SMN2NPC1RAB9A
SCHEMBL1763270 0.84 SIGMAR1 (0.61) PARP1SIGMAR1SMN1; SMN2TP53GABRD
SCHEMBL10272898 0.83 RAB9A (0.65) PARP1MGLLSMN1; SMN2NPC1RAB9A
SCHEMBL12012931 0.83 POLB (0.50) PARP1MGLLSMN1; SMN2NPC1RAB9A
SCHEMBL20245216 0.82 SIGMAR1 (0.58) SIGMAR1MGLLCNR2SMN1; SMN2GABRD
SCHEMBL8358286 0.82 SIGMAR1 (0.76) SIGMAR1TP53GABRDGABRA1GABRB1

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-20090253766-A1 THIOPHENE DERIVATIVES AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2009-10-08 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-20090253766-A1 THIOPHENE DERIVATIVES AS FACTOR XIA INHIBITORS TFPI, F12, F11 PARP1 3048/4885SIGMAR1 3171/4885MGLL 2870/4885

“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.