SCHEMBL2914008

SCHEMBL2914008

O=C(NCc1ccccc1F)c1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HPGD P15428 6/20 0.65
ALDH1A1 P00352 2/20 0.65
LMNA P02545 1/20 0.61
HTT P42858 1/20 0.60
POLB P06746 1/20 0.60
NPC1 O15118 1/20 0.59
NAMPT P43490 2/20 0.58
MAPT P10636 1/20 0.56
TSHR P16473 1/20 0.56
MAOA P21397 1/20 0.55

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
SCHEMBL20804370 0.89 HPGD (0.67) HPGDALDH1A1LMNAHTTPOLB
SCHEMBL14797487 0.87 HPGD (0.57) HPGDALDH1A1LMNAHTTPOLB
SCHEMBL31396790 0.87 HPGD (0.59) HPGDALDH1A1LMNAHTTNPC1
SCHEMBL1568699 0.87 NAMPT (0.69) HPGDLMNAHTTNPC1NAMPT
SCHEMBL13947127 0.87 HPGD (0.64) HPGDALDH1A1LMNAHTTPOLB
SCHEMBL3460904 0.83 EPHX2 (0.57) HPGDALDH1A1POLBNPC1
SCHEMBL3559924 0.83 RIPK1 (0.58) HPGDALDH1A1LMNAPOLBMAPT
SCHEMBL3459833 0.82 GAA (0.55) HPGDALDH1A1LMNA
SCHEMBL678599 0.82 CA2 (0.71) HPGDLMNA
SCHEMBL1767796 0.82 HPGD (0.51) HPGDLMNAPOLBNPC1NAMPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1586552-B1 PROCESS FOR PRODUCING BENZYLAMINE DERIVATIVE IHARA CHEMICAL IND CO (JP) 2010-08-25 EP disclosed
US-7704995-B2 Protein kinase modulators and methods of use EXELIXIS, INC. (US) 2010-04-27 US disclosed
CN-100503551-C Process for producing benzylamine derivative IHARA CHEMICAL IND CO (JP) 2009-06-24 CN disclosed
US-7326813-B2 Process for producing benzylamine derivative IHARA CHEMICAL INDUSTRY (JP) 2008-02-05 US disclosed
US-7241759-B2 Benzo[1,2,5]thiadiazole compounds JANSSEN PHARMACEUTICA N.V. (BE) 2007-07-10 US disclosed
US-20060211709-A1 Protein kinase modulators and methods of use EXELIXIS, INC. 2006-09-21 US disclosed
US-20060155141-A1 Process for producing benzylamine derivative ITO AKINORI 2006-07-13 US disclosed
CN-1802343-A Process for producing benzylamine derivative IHARA CHEMICAL IND CO (JP) 2006-07-12 CN disclosed
EP-1586552-A1 PROCESS FOR PRODUCING BENZYLAMINE DERIVATIVE IHARA CHEMICAL INDUSTRY Co., Ltd. (JP) 2005-10-19 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 (2 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-20060155141-A1 Process for producing benzylamine derivative BRD7, BRD1, BRD2 HPGD 2426/4885ALDH1A1 2660/4885LMNA 2089/4885
US-20060211709-A1 Protein kinase modulators and methods of use GRK2, MAP4K2, MAPKAPK2 HPGD 1272/4885ALDH1A1 3298/4885LMNA 3773/4885

“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.