SCHEMBL19227702

SCHEMBL19227702

CCc1ccc(N=Nc2ccc(Br)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLB1 P16278 1/20 0.52
CTRB1 P17538 1/20 0.52
CTRC Q99895 1/20 0.52
PLAU P00749 1/20 0.47
CYP2C9 P11712 1/20 0.42
CYP1A1 P04798 1/20 0.42
CYP1B1 Q16678 1/20 0.42
MAPT P10636 4/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
ALDH1A1 P00352 2/20 0.40
NOS1 P29475 2/20 0.40
MAPK1 P28482 1/20 0.40
RECQL P46063 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ALOX12 P18054 1/20 0.40
NFKB1 P19838 1/20 0.40

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
SCHEMBL24212689 0.88 PLAU (0.56) PLAUCYP2C9MAPTSMN1; SMN2MEN1
SCHEMBL13638200 0.88 PLAU (0.56) PLAUCYP2C9MAPTSMN1; SMN2MEN1
SCHEMBL149101 0.85
SCHEMBL4847965 0.83 TP53 (0.48) NPC1ALDH1A1HTTTAAR1
Ammonia Solution, Strong SCHEMBL958345 0.83 TP53 (0.48) NPC1ALDH1A1HTTTAAR1
SCHEMBL21815422 0.83 POLB (0.51) GLB1CTRB1CTRCPLAUCYP1A1
SCHEMBL21815421 0.83 POLB (0.51) GLB1CTRB1CTRCPLAUCYP1A1
Bromide SCHEMBL8209119 0.80 TP53 (0.46) NPC1ALDH1A1HTTTAAR1
Ethylene SCHEMBL27607024 0.80 TP53 (0.46) NPC1ALDH1A1HTTTAAR1
SCHEMBL11691780 0.80 GLB1 (0.74) GLB1CTRB1CTRCPLAUCYP1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170226071-A1 DICHROIC DYE COMPOUND, POLARIZING FILM, AND USES THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-08-10 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 (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-20170226071-A1 DICHROIC DYE COMPOUND, POLARIZING FILM, AND USES THEREOF CRY1, C5, C9 GLB1 1338/4885CTRB1 2095/4885CTRC 2832/4885

“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.