SCHEMBL16009331

SCHEMBL16009331

[2H]NC(c1ccc(Cl)cc1)c1ccc(C)cc1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 1/20 0.44
▸ TDO2 P48775 1/20 0.44
▸ S1PR1 P21453 1/20 0.39
▸ S1PR3 Q99500 1/20 0.39
▸ UTS2R Q9UKP6 3/20 0.37
▸ ADRB2 P07550 1/20 0.36
▸ FLT1 P17948 1/20 0.35
▸ FLT4 P35916 1/20 0.35
▸ KDR P35968 1/20 0.35
▸ MCHR1 Q99705 1/20 0.34
▸ TP53 P04637 2/20 0.33
▸ TDP1 Q9NUW8 2/20 0.33
▸ LMNA P02545 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ CYP3A4 P08684 1/20 0.32
▸ AGTR1 P30556 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ KMT2A Q03164 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
SCHEMBL14678529 0.88 IDO1 (0.48) IDO1TDO2S1PR1S1PR3UTS2R
Hydrochloric Acid SCHEMBL20424573 0.87 IDO1 (0.50) IDO1TDO2S1PR1S1PR3UTS2R
SCHEMBL16010180 0.78 LMNA (0.43) IDO1TDO2S1PR1S1PR3ADRB2
SCHEMBL14678017 0.78 S1PR1 (0.47) IDO1TDO2S1PR1S1PR3ADRB2
SCHEMBL14677318 0.71 ACHE (0.41) IDO1TDO2TDP1LMNAALDH1A1
SCHEMBL23685778 0.71 ALDH1A1 (0.44) IDO1TDO2UTS2RTDP1LMNA
SCHEMBL23589332 0.71 OPRM1 (0.42) IDO1TDO2TP53LMNAHTT
SCHEMBL14677066 0.70 TACR1 (0.41) TDP1LMNAHTTCYP3A4MEN1
SCHEMBL14675573 0.70 TACR1 (0.41) TDP1LMNAHTTCYP3A4MEN1
SCHEMBL14677950 0.70 TACR1 (0.41) TDP1LMNAHTTCYP3A4MEN1

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-20140256740-A1 COMPOUNDS AND METHODS TEMPERO PHARMACEUTICALS, INC. (US) 2014-09-11 — — 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 (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-20140256740-A1 COMPOUNDS AND METHODS RORC, RORB, RORA IDO1 1484/4885TDO2 2942/4885S1PR1 298/4885

“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.

Send feedback