SCHEMBL17478643

SCHEMBL17478643

O=C(O)c1cc(I)ccc1N1CCOCC1

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.60
▸ GAA P10253 9/20 0.55
▸ KDM4E B2RXH2 8/20 0.55
▸ ALDH1A1 P00352 5/20 0.55
▸ HPGD P15428 1/20 0.55
▸ PKM P14618 1/20 0.53
▸ HSD17B10 Q99714 4/20 0.51
▸ CHRNB2 P17787 1/20 0.51
▸ CHRNA4 P43681 1/20 0.51
▸ RAB9A P51151 1/20 0.50
▸ TSHR P16473 2/20 0.48
▸ ALDH3A1 P30838 1/20 0.48
▸ ALDH1A3 P47895 1/20 0.48
▸ LMNA P02545 2/20 0.46
▸ HTT P42858 1/20 0.46

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
SCHEMBL11102795 0.81 SMN1; SMN2 (0.60) SMN1; SMN2GAAKDM4EALDH1A1HPGD
SCHEMBL3928569 0.81 SMN1; SMN2 (0.60) SMN1; SMN2GAAKDM4EALDH1A1HPGD
SCHEMBL17559747 0.81 SMN1; SMN2 (0.60) SMN1; SMN2GAAKDM4EALDH1A1HPGD
SCHEMBL2855312 0.81 SMN1; SMN2 (0.60) SMN1; SMN2GAAKDM4EALDH1A1HPGD
SCHEMBL14226837 0.81 SMN1; SMN2 (0.60) SMN1; SMN2GAAKDM4EALDH1A1HPGD
SCHEMBL17478873 0.81 GAA (0.65) SMN1; SMN2GAAKDM4EALDH1A1HPGD
SCHEMBL19680521 0.79 SMN1; SMN2 (0.58) SMN1; SMN2GAAKDM4EALDH1A1HPGD
SCHEMBL17177050 0.79 SMN1; SMN2 (0.58) SMN1; SMN2GAAKDM4EALDH1A1HPGD
SCHEMBL3822813 0.78 ALDH1A1 (0.61) SMN1; SMN2GAAKDM4EALDH1A1HSD17B10
SCHEMBL3931220 0.78 SMN1; SMN2 (0.56) SMN1; SMN2GAAKDM4EALDH1A1HPGD

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
CN-106573915-B Compounds active against bromodomains 纽韦卢森公司 2020-12-25 — — CN disclosed
US-10752640-B2 Compounds active towards bromodomains NUEVOLUTION A/S (DK) 2020-08-25 — — US disclosed
US-10752640-B2 Compounds active towards bromodomains NUEVOLUTION A/S (DK) 2020-08-25 — — US disclosed
US-20170349607-A1 COMPOUNDS ACTIVE TOWARDS BROMODOMAINS NUEVOLUTION A/S (DK) 2017-12-07 — — US disclosed
US-20170349607-A1 COMPOUNDS ACTIVE TOWARDS BROMODOMAINS NUEVOLUTION A/S (DK) 2017-12-07 — — US disclosed
US-20170349607-A1 COMPOUNDS ACTIVE TOWARDS BROMODOMAINS NUEVOLUTION A/S (DK) 2017-12-07 — — US disclosed
EP-3174868-A1 COMPOUNDS ACTIVE TOWARDS BROMODOMAINS Nuevolution A/S (DK) 2017-06-07 — — EP disclosed
WO-2016016316-A1 COMPOUNDS ACTIVE TOWARDS BROMODOMAINS NUEVOLUTION A/S (DK) 2016-02-04 — — 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 (2 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-20170349607-A1 COMPOUNDS ACTIVE TOWARDS BROMODOMAINS BRD4, BRD3, BRDT SMN1; SMN2 2459/4885GAA 1396/4885KDM4E 626/4885
US-10752640-B2 Compounds active towards bromodomains BRD4, BRD3, BRDT SMN1; SMN2 2459/4885GAA 1396/4885KDM4E 626/4885

“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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