SCHEMBL13623674

SCHEMBL13623674

CCn1c(SCC(=O)C(C)(C)C)nc2ccccc21

nearest known ligand 0.80

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.80
LMNA P02545 4/20 0.65
SMN1; SMN2 Q16637 3/20 0.58
MEN1 O00255 2/20 0.58
HTT P42858 2/20 0.58
KMT2A Q03164 2/20 0.58
MAPT P10636 2/20 0.58
NPC1 O15118 2/20 0.58
RAB9A P51151 1/20 0.58
POLB P06746 1/20 0.57
L3MBTL1 Q9Y468 6/20 0.57
CASP3 P42574 1/20 0.53
SENP8 Q96LD8 1/20 0.53
SENP7 Q9BQF6 1/20 0.53
SENP6 Q9GZR1 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
AR P10275 1/20 0.52
HSD17B10 Q99714 1/20 0.52

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
SCHEMBL13610932 0.86 ALDH1A1 (0.81) ALDH1A1LMNASMN1; SMN2HTTMAPT
SCHEMBL13623622 0.84 LMNA (0.67) ALDH1A1LMNASMN1; SMN2MEN1HTT
SCHEMBL12203800 0.78 MAPT (0.65) ALDH1A1LMNASMN1; SMN2MEN1HTT
SCHEMBL7930198 0.75 MAPT (0.78) ALDH1A1LMNASMN1; SMN2MEN1HTT
SCHEMBL13610834 0.75 ALDH1A1 (0.59) ALDH1A1SMN1; SMN2MEN1KMT2AMAPT
SCHEMBL12195242 0.74 HTT (0.56) ALDH1A1LMNASMN1; SMN2MEN1HTT
SCHEMBL11887749 0.72 PTGDR2 (0.75) ALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL5118599 0.71 PTGDR2 (0.76) ALDH1A1MEN1KMT2ANPC1POLB
SCHEMBL13768080 0.71 ALDH1A1 (0.63) ALDH1A1LMNASMN1; SMN2MEN1HTT
SCHEMBL4296199 0.71 L3MBTL1 (0.91) ALDH1A1LMNASMN1; SMN2MEN1HTT

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 ALDH1A1 2368/4885LMNA 2982/4885SMN1; SMN2 2847/4885

“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.