Sugi Predict

Sugi Predict / Compounds / SCHEMBL9893400

SCHEMBL9893400

SCHEMBL9893400

Cc1cc(Br)c(OCc2ccccc2Cl)c(B(O)O)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 2/20 0.46
▸ CYP3A4 P08684 2/20 0.46
▸ CYP2D6 P10635 2/20 0.46
▸ CYP2C19 P33261 2/20 0.46
▸ SMN1; SMN2 Q16637 4/20 0.45
▸ CYP2C9 P11712 1/20 0.45
▸ THRA P10827 1/20 0.43
▸ THRB P10828 1/20 0.43
▸ FABP4 P15090 3/20 0.40
▸ FABP5 Q01469 3/20 0.40
▸ MAOA P21397 1/20 0.40
▸ MAOB P27338 1/20 0.40
▸ HDAC8 Q9BY41 2/20 0.39
▸ FFAR1 O14842 1/20 0.39
▸ FFAR4 Q5NUL3 1/20 0.39
▸ NR4A2 P43354 2/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38

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
SCHEMBL16687437 0.84 MAPT (0.46) SMN1; SMN2THRATHRBMAOBNPC1
SCHEMBL12440959 0.83 MAPT (0.50) CYP1A2CYP3A4CYP2D6CYP2C19SMN1; SMN2
SCHEMBL13429869 0.81 CYP1A2 (0.45) CYP1A2CYP3A4CYP2D6CYP2C19SMN1; SMN2
SCHEMBL3317609 0.81 LIPE (0.50) SMN1; SMN2THRATHRBMAOBNPC1
SCHEMBL13429699 0.79 CYP1A2 (0.46) CYP1A2CYP3A4CYP2D6CYP2C19SMN1; SMN2
SCHEMBL16687436 0.78 LMNA (0.47) CYP1A2CYP3A4CYP2D6CYP2C19SMN1; SMN2
SCHEMBL9893602 0.78 ENPP2 (0.56) CYP1A2CYP3A4CYP2C19THRATHRB
SCHEMBL9946065 0.77 MAPT (0.44) SMN1; SMN2THRATHRBMAOBNPC1
SCHEMBL2555102 0.77 FFAR1 (0.49) SMN1; SMN2THRBFABP4FABP5MAOA
SCHEMBL12030992 0.75 IDO1 (0.47) CYP1A2CYP3A4CYP2D6CYP2C19SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150315127-A1 THERAPEUTIC COMPOUNDS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. 2015-11-05 — — US disclosed
US-20150315127-A1 THERAPEUTIC COMPOUNDS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. 2015-11-05 — — US disclosed
US-20150315127-A1 THERAPEUTIC COMPOUNDS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. 2015-11-05 — — US disclosed
US-9024071-B2 Therapeutic compounds UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2015-05-05 — — US disclosed
US-9024071-B2 Therapeutic compounds UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2015-05-05 — — US disclosed
US-9024071-B2 Therapeutic compounds UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2015-05-05 — — US disclosed
US-20120149693-A1 THERAPEUTIC COMPOUNDS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2012-06-14 — — 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 (2 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-20120149693-A1 THERAPEUTIC COMPOUNDS HTR2C, GRK2, GRK3 CYP1A2 2891/4885CYP3A4 3867/4885CYP2D6 2993/4885
US-20150315127-A1 THERAPEUTIC COMPOUNDS HTR2C, GRK2, GRK3 CYP1A2 2891/4885CYP3A4 3867/4885CYP2D6 2993/4885

“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.