SCHEMBL5462697

SCHEMBL5462697

O=C(Nc1nccc(-c2cccc(Br)c2)n1)c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.58
LMNA P02545 1/20 0.58
ABL1 P00519 5/20 0.57
BCR P11274 5/20 0.57
PDGFRB P09619 4/20 0.57
PDGFRA P16234 4/20 0.57
PRKCA P17252 4/20 0.57
SRC P12931 3/20 0.57
PRKCD Q05655 3/20 0.57
PRKD3 O94806 1/20 0.57
PRKCG P05129 1/20 0.57
PRKCB P05771 1/20 0.57
PRKCH P24723 1/20 0.57
PRKCI P41743 1/20 0.57
PRKCE Q02156 1/20 0.57
PRKCQ Q04759 1/20 0.57
PRKCZ Q05513 1/20 0.57
PRKD1 Q15139 1/20 0.57
ADORA1 P30542 2/20 0.57
TDP2 O95551 1/20 0.54

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
SCHEMBL5470852 0.87 ADORA1 (0.69) ABL1BCRPDGFRBPDGFRAPRKCA
SCHEMBL5465350 0.82 SIRT2 (0.68) ABL1BCRPDGFRBPDGFRAPRKCA
SCHEMBL5465537 0.82 KMO (0.61) ALDH1A1LMNAABL1BCRPDGFRB
SCHEMBL5466956 0.82 JAK2 (0.72) ALDH1A1ABL1BCRPDGFRBPDGFRA
SCHEMBL5465327 0.81 ALDH1A1 (0.65) ALDH1A1LMNAABL1PDGFRBPDGFRA
SCHEMBL5465315 0.81 PLK1 (0.61) ALDH1A1ABL1BCRPDGFRBPDGFRA
SCHEMBL5472823 0.78 ADORA1 (0.57) ALDH1A1LMNAABL1BCRPDGFRB
SCHEMBL5472470 0.78 ADORA3 (0.65) ABL1BCRPDGFRBPDGFRAPRKCA
SCHEMBL5473232 0.78 DYRK1A (0.63) ABL1BCRPDGFRBPDGFRAPRKCA
SCHEMBL5465855 0.77 HDAC1 (0.67) ALDH1A1ABL1BCRPRKCAADORA1

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-20070099938-A1 Antistress drug and medical use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2007-05-03 US disclosed
EP-1679309-A1 ANTISTRESS DRUG AND MEDICAL USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2006-07-12 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-20070099938-A1 Antistress drug and medical use thereof NPSR1, MC2R, SRR ALDH1A1 2447/4885LMNA 2970/4885ABL1 1671/4885

“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.