SCHEMBL3786041

SCHEMBL3786041

Nc1cccc(-c2cc(C(F)(F)F)ccc2N)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.58
MAPK1 P28482 1/20 0.58
MAOA P21397 1/20 0.42
RORC P51449 1/20 0.42
RORB Q92753 1/20 0.42
ADORA2A P29274 1/20 0.41
ADORA1 P30542 1/20 0.41
KIF11 P52732 3/20 0.41
PKM P14618 2/20 0.41
ALDH1A1 P00352 2/20 0.41
MAP4K4 O95819 1/20 0.41
PTGS1 P23219 3/20 0.41
MAPT P10636 2/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
CNR1 P21554 1/20 0.41
CNR2 P34972 1/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41

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
SCHEMBL3784775 0.86 TSHR (0.58) TSHRMAPK1MAOARORCRORB
SCHEMBL6570672 0.86 TSHR (0.58) TSHRMAPK1RORCRORBADORA2A
Hydrochloric Acid SCHEMBL6572095 0.85 TSHR (0.56) TSHRMAPK1RORCRORBADORA2A
SCHEMBL3792211 0.84 KIF11 (0.52) TSHRMAPK1ADORA2AADORA1KIF11
SCHEMBL20557329 0.81 TSHR (0.56) TSHRMAPK1MAOARORCRORB
SCHEMBL3787150 0.80 KIF11 (0.61) TSHRMAPK1KIF11PKMALDH1A1
SCHEMBL11421222 0.80 TSHR (0.55) TSHRMAPK1MAOARORCRORB
SCHEMBL3789224 0.80 TSHR (0.76) TSHRMAPK1MAOARORCRORB
SCHEMBL2478623 0.79 MAOA (0.54) MAOAPKMALDH1A1MAP4K4MAPT
SCHEMBL631923 0.78 KIF11 (0.63) TSHRMAPK1MAOAKIF11MAP4K4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100087680-A1 METHOD FOR PRODUCING BIARYL COMPOUND SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2010-04-08 US disclosed
EP-1914221-A1 PROCESS FOR PRODUCING BIARYL COMPOUND Sumitomo Chemical Company, Limited (JP) 2008-04-23 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-20100087680-A1 METHOD FOR PRODUCING BIARYL COMPOUND NISCH, BLVRB, BBOX1 TSHR 1688/4885MAPK1 4726/4885MAOA 348/4885

“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.