SCHEMBL3995632

SCHEMBL3995632

Nc1ccc(C2=C3C=CC(=N3)C=C3C=CC(=N3)C(c3ccccc3)=C3C=CC(=N3)C=C3C=CC2=N3)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 2/20 0.38
▸ CYP3A4 P08684 2/20 0.38
▸ TAAR1 Q96RJ0 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ MEN1 O00255 5/20 0.34
▸ KMT2A Q03164 5/20 0.34
▸ RAB9A P51151 4/20 0.34
▸ NPC1 O15118 3/20 0.34
▸ ALDH1A1 P00352 4/20 0.33
▸ MAPT P10636 3/20 0.33
▸ HPGD P15428 3/20 0.33
▸ KDM4E B2RXH2 3/20 0.33
▸ GLA P06280 2/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ LMNA P02545 2/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ CYP2D6 P10635 1/20 0.31
▸ CYP2C9 P11712 1/20 0.31

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
SCHEMBL28664742 0.97 HSD17B10 (0.36) HSD17B10CYP3A4TAAR1TDP1MEN1
SCHEMBL7258064 0.93 — —
SCHEMBL27940872 0.92 CYP3A4 (0.32) HSD17B10CYP3A4TAAR1TDP1
SCHEMBL28730725 0.91 CYP3A4 (0.31) HSD17B10CYP3A4TAAR1TDP1
SCHEMBL12076189 0.90 — —
SCHEMBL5050049 0.90 — —
SCHEMBL28956785 0.89 CYP3A4 (0.30) HSD17B10CYP3A4TAAR1TDP1
SCHEMBL28186501 0.88 — —
SCHEMBL27618213 0.88 — —
SCHEMBL27931186 0.88 CYP3A4 (0.31) HSD17B10CYP3A4TAAR1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7452845-B2 Mesoporous organic-inorganic hybrid materials for separating gases CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2008-11-18 — — US claimed
EP-1370563-B1 MESOPOROUS ORGANIC-INORGANIC HYBRID MATERIALS FOR SEPARATING GASES CENTRE NAT RECH SCIENT (FR) 2006-09-06 — — EP claimed
US-20040122250-A1 Mesoporous organic-inorganic hybrid materials for separating gases CENTRE NATIONAL DE LA RECHERCHE-SCIENTIFIQUE (FR) 2004-06-24 — — US claimed
EP-1370563-A1 MESOPOROUS ORGANIC-INORGANIC HYBRID MATERIALS FOR SEPARATING GASES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2003-12-17 — — EP claimed
WO-2002076991-A1 MESOPOROUS ORGANIC-INORGANIC HYBRID MATERIALS FOR SEPARATING GASES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2002-10-03 — — WO claimed
US-7517512-B2 Mesoporous organic-inorganic hybrid materials for separating gases CENTRE NATIONAL DE LA RECHERCHE-SCIENTIFIQUE (FR) 2009-04-14 — — US disclosed
US-7452845-B2 Mesoporous organic-inorganic hybrid materials for separating gases CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2008-11-18 — — US disclosed
US-20080152561-A1 MESOPOROUS ORGANIC-INORGANIC HYBRID MATERIALS FOR SEPARATING GASES CENTRE NATIONAL DE LA RECHERCHE-SCIENTIFIQUE (FR) 2008-06-26 — — US disclosed
EP-1370563-B1 MESOPOROUS ORGANIC-INORGANIC HYBRID MATERIALS FOR SEPARATING GASES CENTRE NAT RECH SCIENT (FR) 2006-09-06 — — EP disclosed
US-20040122250-A1 Mesoporous organic-inorganic hybrid materials for separating gases CENTRE NATIONAL DE LA RECHERCHE-SCIENTIFIQUE (FR) 2004-06-24 — — US disclosed
EP-1370563-A1 MESOPOROUS ORGANIC-INORGANIC HYBRID MATERIALS FOR SEPARATING GASES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2003-12-17 — — EP disclosed
WO-2002076991-A1 MESOPOROUS ORGANIC-INORGANIC HYBRID MATERIALS FOR SEPARATING GASES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2002-10-03 — — 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-20040122250-A1 Mesoporous organic-inorganic hybrid materials for separating gases SCO2, IPO9, IPO4 HSD17B10 2926/4885CYP3A4 1911/4885TAAR1 160/4885
US-20080152561-A1 MESOPOROUS ORGANIC-INORGANIC HYBRID MATERIALS FOR SEPARATING GASES ZYX, IPO9, IPO4 HSD17B10 3499/4885CYP3A4 2798/4885TAAR1 771/4885

“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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