SCHEMBL16416919

SCHEMBL16416919

O=C(c1c[nH]c2ccccc12)N(c1ccccc1)c1ccc(OCc2ccccc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.51
▸ ALDH1A1 P00352 2/20 0.51
▸ HPGD P15428 1/20 0.51
▸ MDH2 P40926 1/20 0.51
▸ MEN1 O00255 3/20 0.48
▸ KMT2A Q03164 3/20 0.48
▸ MAPT P10636 2/20 0.48
▸ NPC1 O15118 2/20 0.48
▸ RAB9A P51151 2/20 0.48
▸ HSP90AA1 P07900 1/20 0.47
▸ HSP90AB1 P08238 1/20 0.47
▸ LTA4H P09960 1/20 0.47
▸ PLA2G2A P14555 1/20 0.47
▸ ECE1 P42892 1/20 0.47
▸ NR4A2 P43354 2/20 0.47
▸ NR4A1 P22736 1/20 0.47
▸ NR4A3 Q92570 1/20 0.47
▸ CFTR P13569 1/20 0.46
▸ GABRP O00591 1/20 0.45
▸ GABRD O14764 1/20 0.45

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
SCHEMBL16416980 0.88 MDH2 (0.66) SMN1; SMN2ALDH1A1HPGDMDH2MEN1
SCHEMBL17782507 0.87 ALDH1A1 (0.48) SMN1; SMN2ALDH1A1HPGDMDH2MEN1
SCHEMBL16416926 0.83 GPR84 (0.61) SMN1; SMN2ALDH1A1MEN1KMT2ANPC1
SCHEMBL9340089 0.83 SMN1; SMN2 (0.66) SMN1; SMN2ALDH1A1HPGDMDH2MEN1
SCHEMBL28283747 0.81 MC4R (0.50) ALDH1A1MEN1KMT2ANPC1RAB9A
SCHEMBL9341641 0.81 NR4A2 (0.72) SMN1; SMN2ALDH1A1HPGDMDH2MEN1
SCHEMBL11874704 0.80 NR4A2 (0.59) SMN1; SMN2ALDH1A1NPC1RAB9ANR4A2
SCHEMBL16417001 0.79 PBRM1 (0.53) ALDH1A1MEN1KMT2AMAPTNPC1
SCHEMBL17782618 0.79 NPC1 (0.53) SMN1; SMN2ALDH1A1HPGDMEN1KMT2A
SCHEMBL11877158 0.78 NR4A1 (0.66) SMN1; SMN2ALDH1A1NR4A2NR4A1NR4A3

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
US-10662173-B2 Indole and pyrrole compounds, a process for their preparation and pharmaceutical compositions containing them LES LABORATOIRES SERVIER (FR) 2020-05-26 — — US disclosed
EP-3027602-B1 NOVEL DERIVATIVES OF INDOLE AND PYRROLE, METHOD FOR THE PRODUCTION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME SERVIER LAB (FR) 2018-06-13 — — EP disclosed
US-20170342051-A1 INDOLE AND PYRROLE COMPOUNDS, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM LES LABORATOIRES SERVIER (FR) 2017-11-30 — — US disclosed
US-9765056-B2 Indole and pyrrole compounds, a process for their preparation and pharmaceutical compositions containing them LES LABORATOIRES SERVIER (FR) 2017-09-19 — — US disclosed
EP-3168217-A1 NOVEL INDOLE AND PYRROLE DERIVATIVES, METHOD FOR PREPARING SAME AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME Les Laboratoires Servier (FR) 2017-05-17 — — EP disclosed
EP-3027602-A1 NOVEL DERIVATIVES OF INDOLE AND PYRROLE, METHOD FOR THE PRODUCTION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME Les Laboratoires Servier (FR) 2016-06-08 — — EP disclosed
US-20160152599-A1 INDOLE AND PYRROLE COMPOUNDS, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM LES LABORATOIRES SERVIER (FR) 2016-06-02 — — US disclosed
WO-2015011396-A1 NOVEL DERIVATIVES OF INDOLE AND PYRROLE, METHOD FOR THE PRODUCTION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME LES LABORATOIRES SERVIER (FR) 2015-01-29 — — 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 (3 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-20170342051-A1 INDOLE AND PYRROLE COMPOUNDS, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM RB1, IDO1, BCL2A1 SMN1; SMN2 3448/4885ALDH1A1 1103/4885HPGD 802/4885
US-10662173-B2 Indole and pyrrole compounds, a process for their preparation and pharmaceutical compositions containing them RB1, IDO1, BCL2A1 SMN1; SMN2 3448/4885ALDH1A1 1103/4885HPGD 802/4885
US-20160152599-A1 INDOLE AND PYRROLE COMPOUNDS, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM IDO1, IDO2, NFATC1 SMN1; SMN2 4016/4885ALDH1A1 1387/4885HPGD 996/4885

“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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