SCHEMBL3969810

SCHEMBL3969810

CC(NCc1ccc(Cl)cc1)c1nnc(NC=O)s1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.36
TMEM97 Q5BJF2 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
ALDH1A1 P00352 3/20 0.34
TSHR P16473 1/20 0.34
CHRM2 P08172 1/20 0.34
MEN1 O00255 4/20 0.34
KMT2A Q03164 4/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
OGA O60502 1/20 0.33
USP7 Q93009 1/20 0.33
RAB9A P51151 1/20 0.33
DPP7 Q9UHL4 2/20 0.32
FFAR2 O15552 1/20 0.32
DPP8 Q6V1X1 1/20 0.32
TDP1 Q9NUW8 1/20 0.32

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
Formic Acid SCHEMBL3969814 0.79 ALDH1A1 (0.42) KCNH2TMEM97CYP1A2CYP2D6CYP2C19
SCHEMBL3904820 0.78 ALDH1A1 (0.48) KCNH2TMEM97CYP1A2CYP2D6CYP2C19
Formic Acid SCHEMBL3969807 0.76 CYP2C19 (0.39) KCNH2TMEM97CYP1A2CYP2D6CYP2C19
SCHEMBL3913629 0.75 CYP2C19 (0.42) CYP1A2CYP2D6CYP2C19SMN1; SMN2ALDH1A1
SCHEMBL18542005 0.70 SMN1; SMN2 (0.51) CYP1A2CYP2C19SMN1; SMN2ALDH1A1TSHR
SCHEMBL3913681 0.64 SMN1; SMN2 (0.44) SMN1; SMN2CHRM2MEN1KMT2A
SCHEMBL7855536 0.64 CYP2C19 (0.53) KCNH2TMEM97CYP1A2CYP2D6CYP2C19
SCHEMBL5268968 0.63 SMN1; SMN2 (0.70) KCNH2CYP1A2CYP2D6CYP2C19SMN1; SMN2
SCHEMBL2168415 0.63 SMN1; SMN2 (0.70) KCNH2CYP1A2CYP2D6CYP2C19SMN1; SMN2
SCHEMBL19685408 0.61 CYP2C19 (0.58) KCNH2TMEM97CYP1A2CYP2D6CYP2C19

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-1658072-A4 COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS PFIZER PROD INC (US) 2009-03-25 EP disclosed
US-20080249094-A1 COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS PFIZER INC. 2008-10-09 US disclosed
US-7408068-B2 Compounds for the treatment of neurodegenerative disorders PFIZER INC. (US) 2008-08-05 US disclosed
US-20070270426-A1 COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS PFIZER INC. 2007-11-22 US disclosed
US-7253195-B2 Compounds for the treatment of neurodegenerative disorders PFIZER INC (US) 2007-08-07 US disclosed
EP-1658072-A1 COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS Pfizer Products Inc. (US) 2006-05-24 EP disclosed
WO-2005020991-A1 COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS PFIZER PRODUCTS, INC. (US) 2005-03-10 WO disclosed
US-20050043372-A1 Compounds for the treatment of neurodegenerative disorders PFIZER, INC. (US) 2005-02-24 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 (3 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-20070270426-A1 COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS APP, BACE1, PSEN1 KCNH2 1520/4885TMEM97 1415/4885RXFP1 192/4885
US-20080249094-A1 COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS APP, BACE1, PSEN1 KCNH2 1520/4885TMEM97 1415/4885RXFP1 192/4885
US-20050043372-A1 Compounds for the treatment of neurodegenerative disorders APP, BACE1, PSEN1 KCNH2 1520/4885TMEM97 1415/4885RXFP1 192/4885

“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.