SCHEMBL13623626

SCHEMBL13623626

CCC(=O)c1cccnc1SC

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 6/20 0.55
TSHR P16473 2/20 0.55
CASP3 P42574 2/20 0.55
SENP8 Q96LD8 2/20 0.55
SENP7 Q9BQF6 2/20 0.55
SENP6 Q9GZR1 2/20 0.55
RAB9A P51151 1/20 0.55
KMT2A Q03164 4/20 0.54
ALDH1A1 P00352 2/20 0.53
HPGD P15428 1/20 0.52
TDP1 Q9NUW8 3/20 0.52
HTT P42858 2/20 0.51
LMNA P02545 1/20 0.51
CRHBP P24387 1/20 0.51
CRHR2 Q13324 1/20 0.51
NPC1 O15118 1/20 0.50
GLA P06280 1/20 0.50
MEN1 O00255 1/20 0.50

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
SCHEMBL7708463 0.81 RAB9A (0.55) L3MBTL1TSHRCASP3SENP8SENP7
SCHEMBL8284968 0.80 KMT2A (0.62) L3MBTL1TSHRCASP3SENP8SENP7
SCHEMBL355357 0.80 ALDH1A1 (0.59) L3MBTL1TSHRCASP3SENP8SENP7
SCHEMBL2632669 0.80 P2RX7 (0.61) L3MBTL1TSHRALDH1A1HPGDTDP1
SCHEMBL13485305 0.79 HPGD (0.67) RAB9AKMT2AHPGDTDP1NPC1
SCHEMBL1327237 0.79 KMT2A (0.56) L3MBTL1TSHRCASP3SENP8SENP7
SCHEMBL3077349 0.79 KMT2A (0.56) L3MBTL1TSHRCASP3SENP8SENP7
SCHEMBL934289 0.79 KMT2A (0.56) L3MBTL1TSHRCASP3SENP8SENP7
Hydrochloric Acid SCHEMBL1375604 0.79 ALDH1A1 (0.62) L3MBTL1TSHRCASP3SENP8SENP7
SCHEMBL9313441 0.79 KMT2A (0.56) L3MBTL1TSHRCASP3SENP8SENP7

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-20090280106-A1 Pituitary adenylate cyclase acivating peptide (pacap) receptor (vpac2) agonists and their pharmacological methods of use BAYER PHARMACEUTICALS CORPORATION (US) 2009-11-12 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-20090280106-A1 Pituitary adenylate cyclase acivating peptide (pacap) receptor (vpac2) agonists and their pharmacological methods of use ADCYAP1R1, VIPR2, ADCY2 L3MBTL1 4358/4885TSHR 99/4885CASP3 3330/4885

“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.