SCHEMBL80740

SCHEMBL80740

Cc1ccc(CCCBr)cc1Cl

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SKP2 Q13309 1/20 0.42
CYP3A4 P08684 1/20 0.41
IGF1R P08069 1/20 0.41
ALOX15 P16050 1/20 0.41
ALDH1A1 P00352 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
PNMT P11086 1/20 0.38
TAAR1 Q96RJ0 1/20 0.38
SIGMAR1 Q99720 12/20 0.38
CYP1A2 P05177 2/20 0.38
CYP2D6 P10635 1/20 0.38
TMEM97 Q5BJF2 1/20 0.38
KDM1A O60341 1/20 0.37
MEN1 O00255 1/20 0.35
TP53 P04637 1/20 0.35
MAPT P10636 1/20 0.35
CYP2C19 P33261 1/20 0.35
KMT2A Q03164 1/20 0.35
KDM4E B2RXH2 1/20 0.35

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
SCHEMBL10830848 0.88 CYP3A4 (0.43) SKP2CYP3A4ALDH1A1NPSR1PNMT
SCHEMBL81436 0.85 SKP2 (0.46) SKP2IGF1RALOX15ALDH1A1PNMT
SCHEMBL12719081 0.82 SKP2 (0.56) SKP2CYP3A4IGF1RALOX15NPSR1
SCHEMBL79106 0.82 SKP2 (0.50) SKP2CYP3A4IGF1RALOX15ALDH1A1
SCHEMBL79213 0.82 IGF1R (0.58) IGF1RALOX15ALDH1A1PNMTTAAR1
SCHEMBL82284 0.81 IGF1R (0.44) SKP2CYP3A4IGF1RALOX15ALDH1A1
SCHEMBL8500210 0.81 PNMT (0.52) SKP2CYP3A4IGF1RALOX15ALDH1A1
SCHEMBL7972551 0.79 CYP3A4 (0.46) CYP3A4ALDH1A1NPSR1PNMTSIGMAR1
SCHEMBL13981318 0.78 SIGMAR1 (0.51) ALDH1A1TAAR1SIGMAR1CYP1A2CYP2D6
SCHEMBL14668134 0.78 GRIN2D (0.45) SKP2CYP3A4IGF1RALOX15ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2168944-B1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORP (JP) 2016-05-11 EP disclosed
US-8129361-B2 Amine compound and pharmaceutical use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-03-06 US disclosed
US-8129361-B2 Amine compound and pharmaceutical use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-03-06 US disclosed
US-8129361-B2 Amine compound and pharmaceutical use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-03-06 US disclosed
US-20100179216-A1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-07-15 US disclosed
US-20100179216-A1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-07-15 US disclosed
US-20100179216-A1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-07-15 US disclosed
EP-2168944-A1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF Mitsubishi Tanabe Pharma Corporation (JP) 2010-03-31 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-20100179216-A1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF HLA-B, HLA-A, HLA-C SKP2 3298/4885CYP3A4 123/4885IGF1R 4690/4885

“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.