SCHEMBL19533664

SCHEMBL19533664

CC(=O)c1[nH]nc(-c2ccc(OC3Cc4ccccc4C3)cc2)c1I

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ FFAR1 O14842 1/20 0.39
▸ NPY5R Q15761 2/20 0.38
▸ ROCK1 Q13464 5/20 0.36
▸ ROCK2 O75116 2/20 0.36
▸ PDE4A P27815 3/20 0.35
▸ PDE4B Q07343 3/20 0.35
▸ PDE4C Q08493 3/20 0.35
▸ PDE4D Q08499 3/20 0.35
▸ NAMPT P43490 1/20 0.35
▸ HRH3 Q9Y5N1 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ TTK P33981 1/20 0.34
▸ AURKB Q96GD4 1/20 0.34
▸ INCENP Q9NQS7 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ RAB9A P51151 2/20 0.33
▸ ACACB O00763 1/20 0.33
▸ NPC1 O15118 1/20 0.33

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
SCHEMBL19533576 0.87 HRH3 (0.42) ROCK1ROCK2NAMPTHRH3CYP3A4
SCHEMBL19544627 0.86 MAPK10 (0.44) FFAR1HRH3ALDH1A1MAPTRAB9A
SCHEMBL19533582 0.84 HRH3 (0.35) ROCK2NAMPTHRH3CYP3A4TTK
SCHEMBL19533553 0.79 ERBB2 (0.41) ALDH1A1MAPTRAB9AACACBNPC1
SCHEMBL19533663 0.74 ALPL (0.48) AURKBALDH1A1MAPTRAB9ANPC1
SCHEMBL19533569 0.74 DHODH (0.41) TTKALDH1A1MAPTRAB9AACACB
SCHEMBL19544883 0.74 MAPT (0.44) HRH3ALDH1A1MAPTRAB9ANPC1
SCHEMBL19533665 0.72 SMN1; SMN2 (0.53) FFAR1PDE4APDE4BPDE4CPDE4D
SCHEMBL19544628 0.66 MAPT (0.65) FFAR1ALDH1A1MAPTRAB9ANPC1
SCHEMBL19544658 0.65 SCN9A (0.54) ALDH1A1MAPTRAB9ANPC1

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-20170313683-A1 BTK INHIBITOR HUBEI BIO-PHARMACEUTICAL INDUSTRIAL TECHNOLOGICAL INSTITUTE, INC. (CN) 2017-11-02 — — 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-20170313683-A1 BTK INHIBITOR BTK, SYK, LYN FFAR1 3296/4885NPY5R 1889/4885ROCK1 330/4885

“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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