SCHEMBL3736562

SCHEMBL3736562

O=C(NCCN1CCOCC1)c1cc2[nH]cnc2cn1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 1/20 0.51
▸ ALDH1A1 P00352 3/20 0.49
▸ LMNA P02545 2/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ CD274 Q9NZQ7 1/20 0.48
▸ MAPK1 P28482 1/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ HSD17B10 Q99714 1/20 0.47
▸ TSHR P16473 1/20 0.47
▸ RAB9A P51151 1/20 0.47

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
SCHEMBL30265188 0.82 POLB (0.60) ALDH1A1CD274MAPK1
SCHEMBL30265334 0.80 POLB (0.60) ALDH1A1CD274MAPK1KDM4E
SCHEMBL2350430 0.80 POLB (0.60) ALDH1A1CD274MAPK1KDM4E
SCHEMBL30265074 0.76 TSHR (0.58) SMN1; SMN2ALDH1A1KDM4ETSHR
SCHEMBL1436987 0.76 ALDH1A1 (0.56) SMN1; SMN2ALDH1A1LMNAKMT2ACD274
SCHEMBL3735019 0.75 HTT (0.45) SMN1; SMN2ALDH1A1LMNAKMT2AMAPK1
SCHEMBL28670109 0.74 MAOB (0.68) SMN1; SMN2ALDH1A1CD274
SCHEMBL5804723 0.73 ALDH1A1 (0.51) SMN1; SMN2ALDH1A1KDM4ETSHR
SCHEMBL7244316 0.73 LMNA (0.57) SMN1; SMN2ALDH1A1LMNAKMT2ACD274
SCHEMBL29834822 0.72 SMN1; SMN2 (0.55) SMN1; SMN2ALDH1A1LMNAKMT2ACD274

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8273890-B2 Thiophene-imidazopyridines 4SC AG (DE) 2012-09-25 — — US disclosed
US-20100278833-A1 THIOPHENE-IMIDAZOPYRIDINES 4SC AG (DE) 2010-11-04 — — US disclosed
EP-2017277-A1 Thiophene-imidazopyridines 4SC AG (DE) 2009-01-21 — — EP disclosed
WO-2009003911-A1 THIOPHENE-IMIDAZOPYRIDINES 4SC AG (DE) 2009-01-08 — — 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 (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-20100278833-A1 THIOPHENE-IMIDAZOPYRIDINES PIKFYVE, PIP4K2B, PIP5K1B SMN1; SMN2 2965/4885ALDH1A1 3695/4885LMNA 4510/4885

“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.

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