SCHEMBL16111376

SCHEMBL16111376

O=C1C(=Cc2ccc(Br)cc2)CSCC1=Cc1ccc(Br)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DRD3 P35462 1/20 0.49
▸ MAOA P21397 2/20 0.49
▸ MAOB P27338 2/20 0.49
▸ PIM1 P11309 1/20 0.49
▸ PIM2 Q9P1W9 1/20 0.49
▸ MAPT P10636 1/20 0.48
▸ RAB9A P51151 1/20 0.48
▸ EGFR P00533 1/20 0.48
▸ XDH P47989 1/20 0.48
▸ KMT2A Q03164 3/20 0.47
▸ MEN1 O00255 2/20 0.47
▸ APP P05067 1/20 0.46
▸ IKBKB O14920 2/20 0.45
▸ RAF1 P04049 1/20 0.45
▸ RPS6KB1 P23443 1/20 0.45
▸ MAPK1 P28482 1/20 0.45
▸ AKT1 P31749 1/20 0.45
▸ AKT2 P31751 1/20 0.45
▸ KDR P35968 1/20 0.45
▸ MAPKAPK2 P49137 1/20 0.45

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
SCHEMBL16111375 1.00 DRD3 (0.49) DRD3MAOAMAOBPIM1PIM2
SCHEMBL17451496 1.00 DRD3 (0.49) DRD3MAOAMAOBPIM1PIM2
SCHEMBL17451495 0.92 KMT2A (0.56) DRD3MAOAMAOBPIM1PIM2
SCHEMBL11504421 0.81 MAOB (0.58) MAOAMAOBPIM1PIM2EGFR
SCHEMBL11504420 0.81 MAOB (0.58) MAOAMAOBPIM1PIM2EGFR
SCHEMBL11504407 0.81 CYP1A2 (0.65) MAOAMAOBPIM1PIM2MAPT
SCHEMBL11504406 0.81 CYP1A2 (0.65) MAOAMAOBPIM1PIM2MAPT
SCHEMBL8116310 0.80 CYP1A2 (0.67) MAOAMAOBPIM1PIM2MAPT
SCHEMBL11504566 0.80 CYP1A2 (0.67) MAOAMAOBPIM1PIM2MAPT
SCHEMBL11504568 0.80 CYP1A2 (0.67) MAOAMAOBPIM1PIM2MAPT

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-10208012-B2 Compounds for treating inflammatory and hyperproliferative diseases BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2019-02-19 — — US disclosed
US-20160016931-A1 COMPOUNDS FOR TREATING INFLAMMATORY AND HYPERPROLIFERATIVE DISEASES BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2016-01-21 — — US disclosed
WO-2014160339-A1 COMPOUNDS FOR TREATING INFLAMMATORY AND HYPERPROLIFERATIVE DISEASES BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2014-10-02 — — WO 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-10208012-B2 Compounds for treating inflammatory and hyperproliferative diseases NFKBIA, PCNA, MYC DRD3 4641/4885MAOA 4427/4885MAOB 4234/4885
US-20160016931-A1 COMPOUNDS FOR TREATING INFLAMMATORY AND HYPERPROLIFERATIVE DISEASES NFKBIA, PCNA, MYC DRD3 4641/4885MAOA 4427/4885MAOB 4234/4885

“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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