SCHEMBL13552956

SCHEMBL13552956

S=C(NC1=CC=C(CN2CCNCC2)CC1)Nc1ccc(Cl)c(-c2nccc3ccccc23)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 7/20 0.36
▸ LMNA P02545 4/20 0.36
▸ SMN1; SMN2 Q16637 3/20 0.36
▸ TP53 P04637 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ KMT2A Q03164 5/20 0.33
▸ MEN1 O00255 4/20 0.33
▸ ALDH1A1 P00352 3/20 0.33
▸ HTR2C P28335 2/20 0.33
▸ HPGD P15428 2/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ NPY5R Q15761 1/20 0.32
▸ ERN1 O75460 2/20 0.32
▸ HTR2A P28223 1/20 0.32
▸ RAB9A P51151 2/20 0.32
▸ CCR3 P51677 1/20 0.31
▸ QPCT Q16769 1/20 0.31
▸ MALT1 Q9UDY8 1/20 0.31
▸ DRD2 P14416 1/20 0.31
▸ DRD4 P21917 1/20 0.31

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
SCHEMBL13554685 0.91 HTR2C (0.33) HTR2CERN1QPCTKDM5CKDM4C
SCHEMBL13552959 0.91 METAP2 (0.37) MAPTLMNASMN1; SMN2TP53MAPK1
SCHEMBL14707447 0.88 SMN1; SMN2 (0.41) MAPTLMNASMN1; SMN2TP53MAPK1
SCHEMBL13554742 0.81 FGFR1 (0.33) MAPTSMN1; SMN2TP53MAPK1KMT2A
SCHEMBL13552961 0.79 KMT2A (0.51) MAPTLMNASMN1; SMN2TP53MAPK1
SCHEMBL13552960 0.77 ALDH1A1 (0.52) MAPTLMNASMN1; SMN2TP53MAPK1
SCHEMBL14707448 0.77 ABL1 (0.42) MAPTLMNASMN1; SMN2TP53MAPK1
SCHEMBL14707412 0.76 KDR (0.43) MAPTSMN1; SMN2KMT2AMEN1ALDH1A1
SCHEMBL13552752 0.76 CCR3 (0.44) MAPTLMNASMN1; SMN2KMT2AALDH1A1
SCHEMBL13552963 0.75 FAAH (0.43) LMNASMN1; SMN2TP53MAPK1KMT2A

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-20120270858-A1 Isoquinoline, quinoline, and quinazoline derivatives as inhibitors of hedgehog signaling CALIFORNIA CAPITAL EQUITY, LLC (US) 2012-10-25 — — 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-20120270858-A1 Isoquinoline, quinoline, and quinazoline derivatives as inhibitors of hedgehog signaling SHH, GLI1, SMO MAPT 2831/4885LMNA 4456/4885SMN1; SMN2 4323/4885

“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.

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