SCHEMBL3835653

SCHEMBL3835653

Brc1cc(Br)c2ccccc2c1Br

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
HTT P42858 3/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MAPT P10636 2/20 0.41
PRNP P04156 2/20 0.41
HPGD P15428 1/20 0.41
HSP90AA1 P07900 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
KDM4E B2RXH2 1/20 0.38
USP2 O75604 1/20 0.38
TP53 P04637 1/20 0.38
APEX1 P27695 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
CA2 P00918 2/20 0.36
CA4 P22748 2/20 0.36
CA1 P00915 1/20 0.36
CA6 P23280 1/20 0.36

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
SCHEMBL7531782 0.77 ALDH1A1 (0.44) ALDH1A1HTTMEN1KMT2ASMN1; SMN2
SCHEMBL28245617 0.77 CYP2A6 (0.41) ALDH1A1MEN1KMT2ATDP1KDM4E
SCHEMBL1956656 0.77 POLB (0.50) ALDH1A1HTTMEN1KMT2ASMN1; SMN2
SCHEMBL29286963 0.77 CASP6 (0.42) ALDH1A1HTTMEN1KMT2ASMN1; SMN2
SCHEMBL349252 0.77 ALDH1A1 (0.43) ALDH1A1HTTMEN1KMT2ASMN1; SMN2
SCHEMBL31533202 0.77 ALDH1A1 (0.43) ALDH1A1HTTMEN1KMT2ASMN1; SMN2
SCHEMBL29558067 0.77 ALDH1A1 (0.43) ALDH1A1HTTMEN1KMT2ASMN1; SMN2
SCHEMBL28511 0.75 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2TDP1KDM4ECYP2C19
SCHEMBL29352635 0.75 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2TDP1KDM4ECYP2C19
SCHEMBL29886444 0.74 GAA (0.37) ALDH1A1HTTMEN1KMT2ASMN1; 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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3564245-A1 NAPHTHOBISCHALCOGENADIAZOLE DERIVATIVE AND PRODUCTION METHOD THEREFOR Osaka University (JP) 2019-11-06 EP disclosed
CN-108774143-A A kind of Triamine monomer and its preparation method and application centered on naphthalene structure 湖南工业大学 2018-11-09 CN disclosed
WO-2018123207-A1 NAPHTHOBISCHALCOGENADIAZOLE DERIVATIVE AND PRODUCTION METHOD THEREFOR 国立大学法人大阪大学 2018-07-05 WO disclosed
EP-1275630-B1 PROCESS FOR PRODUCING SUBSTITUTED AROMATIC COMPOUND MITSUI CHEMICALS INC (JP) 2009-10-07 EP disclosed
EP-1275630-A1 PROCESS FOR PRODUCING SUBSTITUTED AROMATIC COMPOUND Mitsui Chemicals, Inc. (JP) 2003-01-15 EP disclosed
US-20020161227-A1 PROCESS FOR PREPARATION OF SUBSTITUTED AROMATIC COMPOUND MITSUI CHEMICALS, INC. (JP) 2002-10-31 US disclosed
US-6469224-B1 REACTING A PHOSPHAZENIUM COMPOUND WITH A HALOGENATED AROMATIC COMPOUNDS, ESPECIALLY CHLORINATED AROMATIC COMPOUNDS MITSUI CHEMICALS, INC. (JP) 2002-10-22 US disclosed
EP-0872903-B1 Method for making hydrogen storage alloy powder and electrode comprising the alloy powder SHINETSU CHEMICAL CO (JP) 2001-10-04 EP disclosed
US-6277519-B1 QUENCHING AN ALLOY MELT; COMMINUTION SHIN-ETSU CHEMICAL CO., LTD. (JP) 2001-08-21 US disclosed
US-6096144-A TREATING WITH ACIDIC OR ALKALINE SOLUTION OF CONJUGATED UNSATURATED COMPOUND WITH AT LEAST 5 BONDS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2000-08-01 US disclosed
US-5858571-A TREATING A PULVERIZED HYDROGEN ABSORBING ALLOY WITH A SOLUTION COMPRISING A CONJUGATED UNSATURATED COMPOUND SHIN-ETSU CHEMICAL CO., LTD. (JP) 1999-01-12 US disclosed
EP-0872903-A1 Method for making hydrogen storage alloy powder and electrode comprising the alloy powder Shin-Etsu Chemical Co., Ltd. (JP) 1998-10-21 EP disclosed
EP-0172427-B1 PROCESS FOR PRODUCTION OF VINYL CHLORIDE POLYMER Shin-Etsu Chemical Co., Ltd. (JP) 1989-07-05 EP disclosed
US-4758639-A Process for production of vinyl polymer SHIN-ETSU CHEMICAL CO., LTD. (JP) 1988-07-19 US disclosed
US-4757124-A Suspension or emulsion polymerizing vinyl chloride monomer or mixture of vinyl chloride with vinyl monomer copolymerizable therewith in reactor with walls coated with antiscaling compound containing dye or pigments SHIN-ETSU CHEMICAL CO., LTD. (JP) 1988-07-12 US disclosed
EP-0172427-A2 Process for production of vinyl chloride polymer Shin-Etsu Chemical Co., Ltd. (JP) 1986-02-26 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-20020161227-A1 PROCESS FOR PREPARATION OF SUBSTITUTED AROMATIC COMPOUND H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, AFF1, PAH ALDH1A1 1857/4885HTT 2739/4885MEN1 906/4885

“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.