SCHEMBL9952012

SCHEMBL9952012

S=C1C=C(c2cc3ccccc3[nH]2)C=CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.45
NPC1 O15118 3/20 0.45
ALDH1A1 P00352 5/20 0.41
KDM4E B2RXH2 5/20 0.41
MAPT P10636 5/20 0.41
MEN1 O00255 3/20 0.41
HPGD P15428 3/20 0.41
KMT2A Q03164 3/20 0.41
CASP3 P42574 2/20 0.41
SENP8 Q96LD8 2/20 0.41
SENP7 Q9BQF6 2/20 0.41
SENP6 Q9GZR1 2/20 0.41
CHEK1 O14757 1/20 0.41
KDR P35968 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
PARP1 P09874 1/20 0.38
CYP19A1 P11511 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL14269535 0.74 RAB9A (0.50) RAB9ANPC1ALDH1A1KDM4EMAPT
SCHEMBL374022 0.70 RAB9A (0.74) RAB9ANPC1ALDH1A1KDM4EMAPT
SCHEMBL29631691 0.70 RAB9A (0.74) RAB9ANPC1ALDH1A1KDM4EMAPT
SCHEMBL2967468 0.65 RAB9A (0.40) RAB9ANPC1ALDH1A1KDM4EMAPT
SCHEMBL14889313 0.65 RAB9A (0.55) RAB9ANPC1ALDH1A1KDM4EMAPT
SCHEMBL19753898 0.65 RAB9A (0.50) RAB9ANPC1ALDH1A1KDM4EMAPT
SCHEMBL5053299 0.65 NPC1 (0.87) RAB9ANPC1ALDH1A1KDM4EMAPT
SCHEMBL5051826 0.65 KDR (0.68) RAB9ANPC1ALDH1A1KDM4EMAPT
2-Phenyl-1H-Indole SCHEMBL29363616 0.63 NPC1 (1.00) RAB9ANPC1ALDH1A1KDM4EMAPT
Methane SCHEMBL28704887 0.63 KDR (0.66) RAB9ANPC1ALDH1A1KDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111100056-B Synthetic method for preparing 3-thiophenyl indole compound by oxygen oxidation without transition metal catalysis 浙江工业大学 2021-07-06 CN claimed
CN-111100056-A Synthetic method for preparing 3-thiophenyl indole compound by oxygen oxidation without transition metal catalysis 浙江工业大学 2020-05-05 CN claimed
CN-111100056-B Synthetic method for preparing 3-thiophenyl indole compound by oxygen oxidation without transition metal catalysis 浙江工业大学 2021-07-06 CN disclosed
CN-111100056-B Synthetic method for preparing 3-thiophenyl indole compound by oxygen oxidation without transition metal catalysis 浙江工业大学 2021-07-06 CN disclosed
CN-111100056-B Synthetic method for preparing 3-thiophenyl indole compound by oxygen oxidation without transition metal catalysis 浙江工业大学 2021-07-06 CN disclosed
CN-111100056-A Synthetic method for preparing 3-thiophenyl indole compound by oxygen oxidation without transition metal catalysis 浙江工业大学 2020-05-05 CN disclosed
CN-111100056-A Synthetic method for preparing 3-thiophenyl indole compound by oxygen oxidation without transition metal catalysis 浙江工业大学 2020-05-05 CN disclosed
CN-111100056-A Synthetic method for preparing 3-thiophenyl indole compound by oxygen oxidation without transition metal catalysis 浙江工业大学 2020-05-05 CN disclosed
US-9657012-B2 FAAH inhibitors IRONWOOD PHARMACEUTICALS, INC. (US) 2017-05-23 US disclosed
EP-2655356-B1 FAAH INHIBITORS IRONWOOD PHARMACEUTICALS INC (US) 2016-08-03 EP disclosed
CN-103502237-B Faah inhibitor IRONWOOD PHARMACEUTICALS, INC. (US) 2016-01-20 CN disclosed
US-20150175599-A1 FAAH Inhibitors IRONWOOD PHARMACEUTICALS, INC. (US) 2015-06-25 US disclosed
CN-103502237-A FAAH inhibitors IRONWOOD PHARMACEUTICALS INC 2014-01-08 CN disclosed
EP-2655356-A1 FAAH INHIBITORS Ironwood Pharmaceuticals, Inc. (US) 2013-10-30 EP disclosed
WO-2012088431-A1 FAAH INHIBITORS IRONWOOD PHARMACEUTICALS, INC. (US) 2012-06-28 WO disclosed
WO-2012088469-A1 FAAH INHIBITORS IRONWOOD PHARMACEUTICALS, INC. (US) 2012-06-28 WO disclosed
CN-1261412-C Indole derivatives as COXII inhibitors HOFFMANN LA ROCHE (CH) 2006-06-28 CN disclosed
CN-1561334-A Indole derivatives as COXII inhibitors HOFFMANN LA ROCHE (CH) 2005-01-05 CN 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-20150175599-A1 FAAH Inhibitors FAAH, FAAH2, ASAH1 RAB9A 1384/4885NPC1 537/4885ALDH1A1 314/4885

“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.