SCHEMBL2961527

SCHEMBL2961527

Clc1nnnn1-c1[c]c(-n2nnnc2Cl)ccc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.35
HSD17B10 Q99714 1/20 0.35
ALDH1A1 P00352 10/20 0.34
MAPT P10636 4/20 0.34
HTT P42858 2/20 0.34
HPGD P15428 1/20 0.34
CCR6 P51684 1/20 0.34
CACNA1B Q00975 1/20 0.34
APBA1 Q02410 1/20 0.34
TSHR P16473 5/20 0.34
NPSR1 Q6W5P4 1/20 0.34
P2RX7 Q99572 4/20 0.33
ALOX15 P16050 1/20 0.32
MAPK1 P28482 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
POLB P06746 1/20 0.31

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
SCHEMBL215500 0.71 ALDH1A1 (0.58) LMNAHSD17B10ALDH1A1MAPTHTT
SCHEMBL3287971 0.69 P2RX7 (0.55) P2RX7
SCHEMBL8436124 0.68 KCNN4 (0.54) ALDH1A1TSHRP2RX7L3MBTL1
SCHEMBL2955022 0.66 ALDH1A1 (0.39) LMNAHSD17B10ALDH1A1MAPTHTT
SCHEMBL27463966 0.65 KCNN4 (0.59)
SCHEMBL8351588 0.65 ALDH1A1 (0.47) LMNAHSD17B10ALDH1A1MAPTHTT
SCHEMBL8499718 0.64 ALDH1A1 (0.47) LMNAHSD17B10ALDH1A1MAPTHTT
SCHEMBL11327422 0.64 ALDH1A1 (0.45) LMNAHSD17B10ALDH1A1MAPTHTT
SCHEMBL8351721 0.64 ALDH1A1 (0.57) LMNAHSD17B10ALDH1A1MAPTHTT
SCHEMBL10373263 0.64 ALDH1A1 (0.61) LMNAHSD17B10ALDH1A1MAPTHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7759388-B2 Phenylalanine derivatives AJINOMOTO CO., INC. (JP) 2010-07-20 US claimed
US-20090048236-A1 NEW PHENYLALANINE DERIVATIVES AJINOMOTO CO. INC (JP) 2009-02-19 US claimed
EP-1323711-B1 NOVEL PHENYLALANINE DERIVATIVES AJINOMOTO KK (JP) 2006-11-15 EP claimed
US-20030220318-A1 New phenylalanine derivatives AJINOMOTO CO. INC (JP) 2003-11-27 US claimed
EP-1323711-A1 NOVEL PHENYLALANINE DERIVATIVES Ajinomoto Co., Inc. (JP) 2003-07-02 EP claimed
US-7759388-B2 Phenylalanine derivatives AJINOMOTO CO., INC. (JP) 2010-07-20 US disclosed
US-20090048236-A1 NEW PHENYLALANINE DERIVATIVES AJINOMOTO CO. INC (JP) 2009-02-19 US disclosed
US-7452905-B2 Phenylalanine derivatives AJINOMOTO CO., INC. (JP) 2008-11-18 US disclosed
EP-1323711-B1 NOVEL PHENYLALANINE DERIVATIVES AJINOMOTO KK (JP) 2006-11-15 EP disclosed
US-20030220318-A1 New phenylalanine derivatives AJINOMOTO CO. INC (JP) 2003-11-27 US disclosed
EP-1323711-A1 NOVEL PHENYLALANINE DERIVATIVES Ajinomoto Co., Inc. (JP) 2003-07-02 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-20030220318-A1 New phenylalanine derivatives VCAM1, PAH, ICAM1 LMNA 3772/4885HSD17B10 4359/4885ALDH1A1 2197/4885
US-20090048236-A1 NEW PHENYLALANINE DERIVATIVES ITGB4, VCAM1, ITGA4 LMNA 3883/4885HSD17B10 4293/4885ALDH1A1 1647/4885

“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.