SCHEMBL4486912

SCHEMBL4486912

CCC(=O)N(C(=O)CC#N)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.41
GLA P06280 1/20 0.41
TSHR P16473 1/20 0.41
KMT2A Q03164 4/20 0.40
LMNA P02545 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
TP53 P04637 2/20 0.40
MEN1 O00255 1/20 0.40
HPGD P15428 1/20 0.40
RCE1 Q9Y256 1/20 0.40
MCL1 Q07820 1/20 0.39
KCNH2 Q12809 1/20 0.37
USP2 O75604 1/20 0.37
HSD17B10 Q99714 1/20 0.37
OPRM1 P35372 3/20 0.37
NPSR1 Q6W5P4 2/20 0.37
NPC1 O15118 1/20 0.37
POLB P06746 1/20 0.37
HTT P42858 1/20 0.37
RAB9A P51151 1/20 0.37

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
SCHEMBL8619637 0.86 ALDH1A1 (0.52) ALDH1A1GLATSHRKMT2ALMNA
SCHEMBL11647636 0.78 TSHR (0.59) ALDH1A1GLATSHRKMT2ASMN1; SMN2
SCHEMBL9146490 0.78 HSD17B10 (0.41) ALDH1A1KMT2ALMNASMN1; SMN2MEN1
SCHEMBL11209904 0.77 KMT2A (0.52) ALDH1A1KMT2ALMNASMN1; SMN2MEN1
Hydrochloric Acid SCHEMBL11688433 0.77 ALDH1A1 (0.47) ALDH1A1GLATSHRKMT2ALMNA
SCHEMBL11202999 0.77 KMT2A (0.57) ALDH1A1GLATSHRKMT2ALMNA
SCHEMBL6216584 0.75 TP53 (0.58) ALDH1A1GLATSHRKMT2ASMN1; SMN2
SCHEMBL11688425 0.75 ALDH1A1 (0.46) ALDH1A1GLATSHRKMT2ALMNA
SCHEMBL11353736 0.75 ALDH1A1 (0.42) ALDH1A1GLATSHRKMT2ALMNA
SCHEMBL24865129 0.74 ALDH1A1 (0.44) ALDH1A1GLATSHRKMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7598419-B2 Compounds for modulating cell proliferation HSC RESEARCH AND DEVELOPMENT LIMITED PARTNERSHIP (CA) 2009-10-06 US disclosed
US-20070243612-A1 Novel Compounds for Modulating Cell Proliferation HSC RESEARCH AND DEVELOPMENT LIMITED PARTNERSHIP (CA) 2007-10-18 US disclosed
EP-1752446-A2 Compounds for modulating cell proliferation HSC Research and Development Limited Partnership (CA) 2007-02-14 EP disclosed
EP-1272457-B9 COMPOUNDS FOR MODULATING CELL PROLIFERATION HSC RES DEV LP (CA) 2006-12-20 EP disclosed
EP-1272457-B1 COMPOUNDS FOR MODULATING CELL PROLIFERATION HSC RES DEV LP (CA) 2006-08-23 EP disclosed
US-7012095-B2 Compounds for modulating cell proliferation HSC RESEARCH AND DEVELOPMENT LIMITED (CA) 2006-03-14 US disclosed
US-20040209845-A1 Novel compounds for modulating cell proliferation HSC RESEARCH AND DEVELOPMENT LIMITED PARTNERSHIP (CA) 2004-10-21 US disclosed
US-6800659-B2 NOVEL STYRYLACRYLONITRILE COMPOUNDS WHICH ARE USEFUL IN TREATING A VARIETY OF CELL PROLIFERATIVE DISORDERS SUCH AS CANCER ARE DISCLOSED. A METHOD OF MODULATING CELL PROLIFERATION COMPRISING ADMINISTERING AN EFFECTIVE AMOUNT OF HSC RESEARCH AND DEVELOPMENT LIMITED PARTNERSHIP (CA) 2004-10-05 US disclosed
US-20040072803-A1 Novel compounds for modulating cell proliferation HSC RESEARCH AND DEVELOPMENT LIMITED (CA) 2004-04-15 US disclosed
US-20030109502-A1 Novel compounds for modulating cell proliferation HSC RESEARCH AND DEVELOPMENT LIMITED PARTNERSHIP (CA) 2003-06-12 US disclosed
EP-1272457-A2 COMPOUNDS FOR MODULATING CELL PROLIFERATION HSC Research and Development Limited Partnership (CA) 2003-01-08 EP disclosed
WO-2001079158-A2 COMPOUNDS FOR MODULATING CELL PROLIFERATION HSC RESEARCH AND DEVELOPMENT LIMITED PARTNERSHIP (CA) 2001-10-25 WO 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 (4 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-20070243612-A1 Novel Compounds for Modulating Cell Proliferation MKI67, CCNA1, PCNA ALDH1A1 546/4885GLA 3771/4885TSHR 3877/4885
US-20040209845-A1 Novel compounds for modulating cell proliferation MKI67, CCNA1, CCNI ALDH1A1 178/4885GLA 3471/4885TSHR 3766/4885
US-20030109502-A1 Novel compounds for modulating cell proliferation MKI67, CCNA1, CCNI ALDH1A1 178/4885GLA 3471/4885TSHR 3766/4885
US-20040072803-A1 Novel compounds for modulating cell proliferation MKI67, CCNA1, MCL1 ALDH1A1 179/4885GLA 3382/4885TSHR 3736/4885

“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.