SCHEMBL5178198

SCHEMBL5178198

C=C(CC)c1ccc(Br)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.47
MAOB P27338 1/20 0.47
HTT P42858 1/20 0.46
CES2 O00748 1/20 0.42
CES1 P23141 1/20 0.42
GSK3B P49841 3/20 0.41
HDAC3 O15379 2/20 0.40
HDAC1 Q13547 2/20 0.40
HDAC2 Q92769 2/20 0.40
OGG1 O15527 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
DUSP3 P51452 1/20 0.40
PTPN5 P54829 1/20 0.40
PTPN11 Q06124 1/20 0.40
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39

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
SCHEMBL2263489 0.87 NR1I2 (0.42) MAOAMAOBCYP1A2CYP3A4CYP2D6
SCHEMBL10413995 0.82 MAOA (0.45) MAOAMAOBHTTCES2CES1
SCHEMBL10414514 0.79 HDAC3 (0.45) MAOAMAOBHTTCES2CES1
SCHEMBL5749794 0.78 ESR1 (0.58) HTTCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL2297994 0.78 GSK3B (0.54) MAOAMAOBCES2CES1GSK3B
SCHEMBL8410387 0.78 SLC6A4 (0.36) MAOAMAOBCYP1A2CYP3A4CYP2D6
SCHEMBL5704306 0.78 ALDH1A1 (0.44) HTTCES2CES1GSK3BHDAC1
SCHEMBL2015853 0.76 MAOA (0.55) MAOAMAOBHTTCES2CES1
SCHEMBL10413993 0.76 MAOA (0.55) MAOAMAOBCES2CES1CA1
SCHEMBL11698205 0.76 CYP19A1 (0.54) MAOACYP1A2CYP3A4CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4956123-A REACTING A STYRENE TYPE COMPOUND WITH A DIHALOACYL PEROXIDE TO MAKE A FLUOROALKYLAROMATIC ESTER NIPPON OILS & FATS COMPANY, LTD. (JP) 1990-09-11 US claimed
WO-2022169755-A1 SULFONAMIDE SUBSTITUTED N-(1H-INDOL-7-YL) BENZENESULFONAMIDES AND USES THEREOF TRIANA BIOMEDICINES, INC. (US) 2022-08-11 WO disclosed
US-7259183-B2 Indole, indazole and indoline derivatives as CETP inhibitors HOFFMANN-LA ROCHE INC. (US) 2007-08-21 US disclosed
EP-1776338-A1 INDOLE, INDAZOLE OR INDOLINE DERIVATIVES F. Hoffmann-Roche AG (CH) 2007-04-25 EP disclosed
US-20060030613-A1 Indole, indazole and indoline derivatives as CETP inhibitors F. HOFFMANN-LA ROCHE AG (CH) 2006-02-09 US disclosed
WO-2006013048-A1 INDOLE, INDAZOLE OR INDOLINE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2006-02-09 WO disclosed
US-4956123-A REACTING A STYRENE TYPE COMPOUND WITH A DIHALOACYL PEROXIDE TO MAKE A FLUOROALKYLAROMATIC ESTER NIPPON OILS & FATS COMPANY, LTD. (JP) 1990-09-11 US disclosed
EP-0189275-B1 METHOD FOR MANUFACTURE OF FLUORINE-CONTAINING AROMATIC DERIVATIVES NIPPON OIL AND FATS COMPANY, LIMITED (JP) 1989-10-18 EP disclosed
EP-0188905-B1 FLAME RETARDANT MOLDED COMPOSITION WHICH INCORPORATES A POLY (STYRENE-CO-N-PHENYLMALEIMIDE-CO-DIBROMOSTYRENE) ARCO CHEMICAL TECHNOLOGY, INC. (US) 1989-07-26 EP disclosed
US-4684692-A Flame-retardant molded composition which incorporates a poly(styrene-CO-N-phenylmaleimide-CO-dibromostyrene) copolymer ATLANTIC RICHFIELD COMPANY (US) 1987-08-04 US disclosed
US-4668750-A Flame-retardant molded composition which incorporates a poly(styrene-co-N-phenylmaleimide-co-dibromostyrene) copolymer ATLANTIC RICHFIELD COMPANY (US) 1987-05-26 US disclosed
US-4663386-A Flame-retardant molded composition which incorporates a poly(styrene-co-N-phenylmaleimide-co-dibromostyrene)copolymer ATLANTIC RICHFIELD COMPANY (US) 1987-05-05 US disclosed
US-4625004-A Flame-retardant molded composition which incorporates a poly (styrene-CO-N-phenylmaleimide-CO-dibromostyrene copolymer ATLANTIC RICHFIELD COMPANY (US) 1986-11-25 US disclosed
EP-0189275-A2 Method for manufacture of fluorine-containing aromatic derivatives NIPPON OIL AND FATS COMPANY, LIMITED (JP) 1986-07-30 EP disclosed
EP-0188905-A1 Flame retardant molded composition which incorporates a poly (styrene-co-N-phenylmaleimide-co-dibromostyrene) ARCO CHEMICAL TECHNOLOGY, INC. (US) 1986-07-30 EP 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-20060030613-A1 Indole, indazole and indoline derivatives as CETP inhibitors CETP, NAT1, MTTP MAOA 227/4885MAOB 147/4885HTT 1102/4885

“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.