SCHEMBL9975602

SCHEMBL9975602

COc1ccc(N(C)c2csc(-c3ccccc3)n2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.49
RAB9A P51151 3/20 0.49
ATM Q13315 2/20 0.49
NPC1 O15118 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
MEN1 O00255 1/20 0.49
NFKB1 P19838 1/20 0.49
NFKB2 Q00653 1/20 0.49
KMT2A Q03164 1/20 0.49
RELA Q04206 1/20 0.49
OXTR P30559 1/20 0.47
CYP19A1 P11511 1/20 0.47
KDM4E B2RXH2 4/20 0.45
ALDH1A1 P00352 3/20 0.45
EGFR P00533 2/20 0.45
PDGFRB P09619 2/20 0.45
KDR P35968 2/20 0.45
HPGD P15428 1/20 0.45
POLB P06746 1/20 0.45
TDP1 Q9NUW8 1/20 0.45

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
SCHEMBL9975611 0.87 SREBF2 (0.46) MAPTRAB9ANPC1SMN1; SMN2MEN1
SCHEMBL10056642 0.84 DHFR (0.44) MAPTRAB9AATMNPC1SMN1; SMN2
SCHEMBL9975610 0.84 SREBF2 (0.56) MAPTRAB9ANPC1SMN1; SMN2MEN1
SCHEMBL8239699 0.83 MAPT (0.46) MAPTRAB9AATMNPC1SMN1; SMN2
SCHEMBL9975607 0.81 CNR2 (0.42) MAPTRAB9AATMNPC1SMN1; SMN2
SCHEMBL9975606 0.78 SMN1; SMN2 (0.47) MAPTRAB9ANPC1SMN1; SMN2MEN1
SCHEMBL8238620 0.75 RARA (0.54) MAPTRAB9ANPC1SMN1; SMN2MEN1
SCHEMBL6693465 0.75 MAPT (0.75) MAPTRAB9AATMNPC1SMN1; SMN2
SCHEMBL13458065 0.74 MAPT (0.73) MAPTRAB9AATMNPC1SMN1; SMN2
SCHEMBL13241207 0.73 EGFR (0.50) RAB9ANPC1SMN1; SMN2KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8394798-B2 Compositions and methods for inducing neuronal differentiation THE SCRIPPS RESEARCH INSTITUTE (US) 2013-03-12 US disclosed
US-20120157457-A1 COMPOSITIONS AND METHODS FOR INDUCING NEURONAL DIFFERENTIATION THE SALK INSTITUTE FOR BIOLOGICAL STUDIES (US) 2012-06-21 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-20120157457-A1 COMPOSITIONS AND METHODS FOR INDUCING NEURONAL DIFFERENTIATION CHAT, DCX, GAP43 MAPT 355/4885RAB9A 2310/4885ATM 4278/4885

“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.