SCHEMBL5885461

SCHEMBL5885461

Cc1cc(C#CC(Cc2ccccc2)Nc2cccc(C#N)c2)ccc1C(=O)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.43
LMNA P02545 2/20 0.43
VNN1 O95497 2/20 0.40
MRGPRX4 Q96LA9 1/20 0.40
HTT P42858 1/20 0.38
FFAR1 O14842 1/20 0.38
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38
PIN1 Q13526 1/20 0.37
KCNH2 Q12809 1/20 0.36
MAPK1 P28482 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HSD17B10 Q99714 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
NR1H4 Q96RI1 1/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36
CTSL P07711 1/20 0.36

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
SCHEMBL5885694 0.89 LMNA (0.43) LMNAMRGPRX4HTTFFAR1CNR1
SCHEMBL5885889 0.86 F10 (0.38)
SCHEMBL5885779 0.85 ACACB (0.41) LMNAHTTFFAR1MAPK1SMN1; SMN2
SCHEMBL5886160 0.85 ACACB (0.51) LMNAMAPK1ALDH1A1CTSLCTSB
SCHEMBL5885788 0.74 F10 (0.40)
SCHEMBL5885600 0.74 ACACB (0.49) KMT2A
SCHEMBL6563213 0.72 KMT2A (0.39) VNN1MRGPRX4CNR1CNR2MEN1
SCHEMBL5885457 0.72 MEN1 (0.43) VNN1MRGPRX4FFAR1MEN1KMT2A
SCHEMBL6563737 0.70 EGLN1 (0.45) LMNAL3MBTL1MEN1ALDH1A1KMT2A
SCHEMBL7384641 0.70 LMNA (0.58) PPARGLMNAHTTMAPK1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7005437-B2 Substituted aryl and heteroaryl derivatives, the preparation thereof and the use therof as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA KG (DE) 2006-02-28 US disclosed
US-20030045712-A1 Substituted aryl and heteroaryl derivatives, the preparation thereof and the use therof as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA KG (DE) 2003-03-06 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 (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-20030045712-A1 Substituted aryl and heteroaryl derivatives, the preparation thereof and the use therof as pharmaceutical compositions F2, F12, F3 PPARG 2510/4885LMNA 947/4885VNN1 858/4885

“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.