SCHEMBL2779417

SCHEMBL2779417

N=C(NCc1ccccc1OC(F)(F)F)Nc1cccc(Br)n1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 2/20 0.42
HDAC3 O15379 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
QPCT Q16769 1/20 0.40
EPHX2 P34913 7/20 0.39
CYP2C9 P11712 3/20 0.38
CYP2J2 P51589 3/20 0.38
HSD17B13 Q7Z5P4 4/20 0.38
PPARG P37231 1/20 0.37
ADORA2A P29274 1/20 0.37
ADORA2B P29275 1/20 0.37
ADORA1 P30542 1/20 0.37
KCNN3 Q9UGI6 1/20 0.36
MAPK1 P28482 1/20 0.36
RIPK1 Q13546 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
SCHEMBL2779357 0.85 HPGD (0.46) HDAC1
SCHEMBL2781461 0.84 NTRK1 (0.41) NTRK1HDAC3HDAC1HDAC2HDAC6
SCHEMBL2782657 0.83 LMNA (0.43) MAPK1
SCHEMBL2782839 0.82 TAS1R3 (0.42) RIPK1
Acetic Acid SCHEMBL2780449 0.79 NTRK1 (0.45) NTRK1HDAC3HDAC1HDAC2HDAC6
Acetic Acid SCHEMBL2781661 0.78 LMNA (0.44) MAPK1
SCHEMBL2781310 0.76 NTRK1 (0.48) NTRK1HDAC3HDAC1HDAC2HDAC6
SCHEMBL2779421 0.76 GRIN2B (0.47) NTRK1HDAC3HDAC1HDAC2HDAC6
SCHEMBL2784450 0.75 EPHB4 (0.46)
SCHEMBL2779634 0.75 RXFP1 (0.40) HDAC3HDAC1HDAC2MAPK1

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-9296697-B2 Hetaryl-substituted guanidine compounds and use thereof as binding partners for 5-HT5-receptors ABBOTT LABORATORIES (US) 2016-03-29 US disclosed
US-20100184787-A1 Heataryl-substituted guanidine compounds and use thereof as binding partners for 5-ht5-receptors ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2010-07-22 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-20100184787-A1 Heataryl-substituted guanidine compounds and use thereof as binding partners for 5-ht5-receptors HTR5A, HTR2C, HTR1E NTRK1 228/4885HDAC3 4618/4885HDAC1 4353/4885

“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.