SCHEMBL1963328

SCHEMBL1963328

O=C1NCCC1Cc1ccc(Br)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 2/20 0.41
DDB1 Q16531 1/20 0.41
HTT P42858 1/20 0.38
POLB P06746 2/20 0.38
KMT2A Q03164 2/20 0.38
GAA P10253 1/20 0.38
FFAR1 O14842 1/20 0.37
PPARA Q07869 1/20 0.37
HTR1D P28221 1/20 0.37
PSEN1 P49768 2/20 0.35
PSEN2 P49810 2/20 0.35
APH1B Q8WW43 2/20 0.35
NCSTN Q92542 2/20 0.35
APH1A Q96BI3 2/20 0.35
PSENEN Q9NZ42 2/20 0.35
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
GHSR Q92847 1/20 0.34
CXCR3 P49682 1/20 0.33

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
SCHEMBL28260107 0.83 KMT2A (0.43) CRBNDDB1HTTPOLBKMT2A
SCHEMBL31300144 0.83 DDB1 (0.41) CRBNDDB1HTTPOLBKMT2A
SCHEMBL3051430 0.83 ALDH1A1 (0.44) CRBNDDB1HTTPOLBGAA
SCHEMBL6211599 0.83 MAOB (0.46) CRBNDDB1HTTFFAR1PSEN1
SCHEMBL837901 0.82 DDB1 (0.60) CRBNDDB1POLBKMT2A
SCHEMBL28103924 0.79 PSEN1 (0.43) CRBNDDB1HTTPSEN1PSEN2
SCHEMBL28261454 0.79 DDB1 (0.39) CRBNDDB1HTTPOLBKMT2A
SCHEMBL28206454 0.79 HTT (0.48) CRBNHTTPOLBKMT2AGAA
SCHEMBL19585871 0.77 CRBN (0.71) CRBNDDB1HTTPOLBKMT2A
SCHEMBL20474683 0.76 MEN1 (0.41) CRBNDDB1KMT2A

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
EP-2299824-B1 PYRAZOLE DERIVATIVES USEFUL AS INHIBITORS OF FAAH MERCK SHARP & DOHME (US) 2013-06-19 EP disclosed
US-20110144056-A1 PYRAZOLE DERIVATIVES USEFUL AS INHIBITORS OF FAAH MERCK SHARP & DOHME CORP. 2011-06-16 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-20110144056-A1 PYRAZOLE DERIVATIVES USEFUL AS INHIBITORS OF FAAH FAAH, FAAH2, HRH2 CRBN 4631/4885DDB1 4686/4885HTT 872/4885

“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.