SCHEMBL2807841

SCHEMBL2807841

NC1=CC=C(c2ccc(N)cc2)C(Br)(Br)C1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
ALDH1A1 P00352 2/20 0.37
TP53 P04637 1/20 0.37
KIF11 P52732 1/20 0.32
TAAR1 Q96RJ0 1/20 0.32
HSD17B10 Q99714 1/20 0.32
MEN1 O00255 1/20 0.31
MAPT P10636 1/20 0.31
KMT2A Q03164 1/20 0.31
APP P05067 1/20 0.30
ALOX15 P16050 1/20 0.30
MAPK1 P28482 1/20 0.30

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
SCHEMBL4438733 0.78 CYP3A4 (0.39) CYP3A4TDP1ALDH1A1TP53TAAR1
SCHEMBL8914064 0.77 CYP3A4 (0.37) CYP3A4TDP1ALDH1A1TP53TAAR1
SCHEMBL8086732 0.77 CYP3A4 (0.37) CYP3A4TDP1ALDH1A1TP53KIF11
SCHEMBL297331 0.77 CYP3A4 (0.37) CYP3A4TDP1ALDH1A1TP53TAAR1
SCHEMBL3787796 0.73 TDP1 (0.33) CYP3A4TDP1ALDH1A1TP53HSD17B10
SCHEMBL8089981 0.73 ALDH1A1 (0.33) CYP3A4TDP1ALDH1A1TP53
SCHEMBL298214 0.73 KIF11 (0.37) CYP3A4TDP1ALDH1A1TP53KIF11
SCHEMBL5080738 0.70 ALDH1A1 (0.36) CYP3A4TDP1ALDH1A1TP53HSD17B10
SCHEMBL8735556 0.65 ESR1 (0.37) CYP3A4ALDH1A1TP53KIF11HSD17B10
SCHEMBL4613513 0.65 CYP3A4 (0.37) CYP3A4TDP1ALDH1A1TP53KIF11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260131280-A1 GAS SEPARATION MEMBRANE UNIT, GAS SEPARATION SYSTEM, AND METHOD FOR PRODUCING ENRICHED GAS UBE CORP (JP) 2026-05-14 US disclosed
US-20100286353-A1 ACETYLENE COMPOUND, SALT THEREOF, CONDENSATE THEREOF, AND COMPOSITION THEREOF FUJIFILM CORPORATION (JP) 2010-11-11 US disclosed
US-20100240908-A1 ACETYLENE COMPOUND FUJIFILM CORPORATION (JP) 2010-09-23 US disclosed
EP-2202220-A1 ACETYLENE COMPOUND, SALT THEREOF, CONDENSATE THEREOF, AND COMPOSITION THEREOF Fujifilm Corporation (JP) 2010-06-30 EP disclosed
EP-2202221-A1 ACETYLENE COMPOUND Fujifilm Corporation (JP) 2010-06-30 EP disclosed
EP-0541510-B1 Wholly aromatic polyamide copolymer TEIJIN LTD (JP) 1996-09-18 EP disclosed
EP-0541510-A2 Wholly aromatic polyamide copolymer TEIJIN LIMITED (JP) 1993-05-12 EP disclosed
US-5006629-A Excellent heat, fire, chemical resistance; spinning and shaping stability; superior mechanical strength TEIJIN LIMITED (JP) 1991-04-09 US disclosed
EP-0367535-A1 Wholly aromatic polyamide copolymer TEIJIN LIMITED (JP) 1990-05-09 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 (3 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-20100240908-A1 ACETYLENE COMPOUND NAT1, KATNA1, KAT2B CYP3A4 1909/4885TDP1 4533/4885ALDH1A1 401/4885
US-20260131280-A1 GAS SEPARATION MEMBRANE UNIT, GAS SEPARATION SYSTEM, AND METHOD FOR PRODUCING ENRICHED GAS SCO2, SLC2A4, STOML2 CYP3A4 1207/4885TDP1 4647/4885ALDH1A1 4807/4885
US-20100286353-A1 ACETYLENE COMPOUND, SALT THEREOF, CONDENSATE THEREOF, AND COMPOSITION THEREOF KAT8, HDAC10, SSRP1 CYP3A4 3918/4885TDP1 4001/4885ALDH1A1 1480/4885

“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.