SCHEMBL4482742

SCHEMBL4482742

Cc1cc(=O)[nH]c2ccc(I)cc12

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.62
KDM4E B2RXH2 4/20 0.59
HPGD P15428 4/20 0.59
GAA P10253 4/20 0.59
ALDH1A1 P00352 3/20 0.59
MAPT P10636 2/20 0.59
HSD17B10 Q99714 2/20 0.59
TSHR P16473 1/20 0.59
TNKS2 Q9H2K2 3/20 0.58
CYP1A2 P05177 2/20 0.58
CYP2C19 P33261 1/20 0.58
AR P10275 3/20 0.50
GLA P06280 2/20 0.49
TP53 P04637 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
PKM P14618 2/20 0.47
CYP2C9 P11712 1/20 0.46
POLB P06746 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
ERN1 O75460 1/20 0.42

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
SCHEMBL13264599 0.85 KDM4E (0.62) LMNAKDM4EHPGDGAAALDH1A1
SCHEMBL31475465 0.80 LMNA (0.67) LMNAKDM4EHPGDGAAALDH1A1
SCHEMBL9724162 0.80 LMNA (0.67) LMNAKDM4EHPGDGAAALDH1A1
SCHEMBL20680204 0.79 AR (0.51) LMNAKDM4EHPGDGAAALDH1A1
SCHEMBL16652203 0.79 KDM4E (0.59) LMNAKDM4EHPGDGAAALDH1A1
SCHEMBL19690158 0.79 AR (0.55) LMNAKDM4EHPGDGAAALDH1A1
SCHEMBL1224662 0.77 LMNA (0.62) LMNAKDM4EHPGDGAAALDH1A1
SCHEMBL11468572 0.77 LMNA (0.62) LMNAKDM4EHPGDGAAALDH1A1
SCHEMBL3151814 0.77 LMNA (1.00) LMNAKDM4EHPGDGAAALDH1A1
SCHEMBL11097088 0.77 GAA (0.73) LMNAKDM4EHPGDGAAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7524862-B2 Alkyne compounds with MCH antagonistic activity and medicaments comprising these compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-04-28 US disclosed
US-20050267115-A1 Alkyne compounds with MCH antagonistic activity and medicaments comprising these compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-12-01 US disclosed
US-4710507-A Quinolone inotropic agents PFIZER INC. (US) 1987-12-01 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-20050267115-A1 Alkyne compounds with MCH antagonistic activity and medicaments comprising these compounds MCHR1, GPR119, MCHR2 LMNA 2541/4885KDM4E 1952/4885HPGD 3552/4885

“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.