SCHEMBL4884506

SCHEMBL4884506

COc1ccc(Br)c2c1OCC1C2Nc2ccc(C(N)=S)cc2C1(C)C

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.33
PKM P14618 1/20 0.33
HTR2A P28223 2/20 0.31
HTR2C P28335 2/20 0.31
HTR2B P41595 2/20 0.31
HTR1A P08908 1/20 0.31
HPGD P15428 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
MEN1 O00255 1/20 0.31
LMNA P02545 1/20 0.31
KMT2A Q03164 1/20 0.31
MAPT P10636 1/20 0.30
MAPK1 P28482 1/20 0.30

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
SCHEMBL4863542 0.92 ALDH1A1 (0.33) ALDH1A1PKMHTR2AHTR2CHTR2B
SCHEMBL4864529 0.90 GPER1 (0.35) ALDH1A1PKMHPGDSMN1; SMN2MEN1
SCHEMBL4564107 0.83 HTR1A (0.30) HTR2AHTR2CHTR2BHTR1A
SCHEMBL4564292 0.83 F2 (0.34) ALDH1A1SMN1; SMN2LMNAMAPTMAPK1
SCHEMBL4555969 0.81 TP53 (0.33) ALDH1A1HPGDSMN1; SMN2MEN1LMNA
SCHEMBL4762777 0.81
SCHEMBL4556127 0.78 GHSR (0.32) MEN1KMT2A
SCHEMBL4554178 0.75 IRAK4 (0.35) ALDH1A1SMN1; SMN2MEN1LMNAKMT2A
SCHEMBL4884510 0.74 F2 (0.32) ALDH1A1MAPT
SCHEMBL4611328 0.73 F10 (0.36) ALDH1A1MEN1KMT2AMAPTMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080293757-A1 ABCA1 ELEVATING COMPOUNDS ABELMAN MATTHEW 2008-11-27 US disclosed
US-7432276-B2 ABCA1 elevating compounds CV THERAPEUTICS, INC. (US) 2008-10-07 US disclosed
US-7423045-B2 ABCA1 elevating compounds CV THERAPEUTICS, INC. (US) 2008-09-09 US disclosed
US-20070191379-A1 ABCA1 elevating compounds CV THERAPEUTICS, INC. 2007-08-16 US disclosed
US-20070010544-A1 ABCA1 elevating compounds CV THERAPEUTICS, INC. 2007-01-11 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-20070191379-A1 ABCA1 elevating compounds ABCD3, ABCB4, CETP ALDH1A1 1804/4885PKM 2717/4885HTR2A 2395/4885
US-20080293757-A1 ABCA1 ELEVATING COMPOUNDS ABCD3, ABCB4, CETP ALDH1A1 1804/4885PKM 2717/4885HTR2A 2395/4885
US-20070010544-A1 ABCA1 elevating compounds ABCD3, ABCB4, CETP ALDH1A1 1804/4885PKM 2717/4885HTR2A 2395/4885

“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.