SCHEMBL12123606

SCHEMBL12123606

O=C(CCN1CCCCC1)c1ccc2ccsc2c1

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 10/20 0.56
▸ MAPT P10636 4/20 0.56
▸ HSD17B10 Q99714 3/20 0.56
▸ HPGD P15428 2/20 0.54
▸ MAOB P27338 1/20 0.54
▸ KMT2A Q03164 6/20 0.54
▸ GFER P55789 1/20 0.52
▸ LMNA P02545 3/20 0.50
▸ HTT P42858 3/20 0.50
▸ MEN1 O00255 2/20 0.50
▸ POLB P06746 1/20 0.50
▸ TP53 P04637 3/20 0.49
▸ TSHR P16473 1/20 0.49
▸ L3MBTL1 Q9Y468 1/20 0.49
▸ USP2 O75604 1/20 0.48
▸ THRB P10828 1/20 0.48
▸ CYP1A2 P05177 1/20 0.47
▸ CYP2D6 P10635 1/20 0.47
▸ CYP2C9 P11712 1/20 0.47

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
SCHEMBL15601774 0.87 ALDH1A1 (0.62) ALDH1A1MAPTHSD17B10KMT2ALMNA
SCHEMBL1332779 0.78 ALDH1A1 (0.68) ALDH1A1MAPTHPGDMAOBKMT2A
SCHEMBL12123860 0.77 ALDH1A1 (0.62) ALDH1A1MAPTHSD17B10KMT2ALMNA
SCHEMBL10257007 0.76 HTR1A (0.68) ALDH1A1HPGDMAOBKMT2AGFER
SCHEMBL827508 0.76 CTNNB1 (0.54) ALDH1A1MAPTHPGDKMT2AMEN1
SCHEMBL12123594 0.74 ALDH1A1 (0.52) ALDH1A1MAPTHSD17B10HPGDMAOB
SCHEMBL12123605 0.74 ALDH1A1 (0.57) ALDH1A1MAPTHSD17B10HPGDMAOB
SCHEMBL10851657 0.74 ALDH1A1 (0.76) ALDH1A1MAPTHSD17B10HPGDMAOB
SCHEMBL12676650 0.74 CTNNB1 (0.50) ALDH1A1HPGDPOLB
SCHEMBL11678598 0.73 L3MBTL1 (0.72) ALDH1A1MAPTHSD17B10HPGDMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150290200-A1 INTRACELLULAR KINASE INHIBITORS PHARMACYCLICS INC (US) 2015-10-15 — — US disclosed
US-20140080833-A1 INTRACELLULAR KINASE INHIBITORS MANNKIND CORPORATION (US) 2014-03-20 — — US disclosed
US-20110281850-A1 INTRACELLULAR KINASE INHIBITORS MANNKIND CORPORATION (US) 2011-11-17 — — 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 (3 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-20150290200-A1 INTRACELLULAR KINASE INHIBITORS PI4KB, BTK, LTK ALDH1A1 4370/4885MAPT 3284/4885HSD17B10 4425/4885
US-20110281850-A1 INTRACELLULAR KINASE INHIBITORS PI4KB, BTK, LTK ALDH1A1 4370/4885MAPT 3284/4885HSD17B10 4425/4885
US-20140080833-A1 INTRACELLULAR KINASE INHIBITORS PI4KB, BTK, LTK ALDH1A1 4370/4885MAPT 3284/4885HSD17B10 4425/4885

“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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