SCHEMBL2997057

SCHEMBL2997057

CCC(=O)n1ccc2ccccc21

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.65
TSHR P16473 1/20 0.56
RAB9A P51151 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
CYP11B1 P15538 2/20 0.52
CYP11B2 P19099 2/20 0.52
KMT2A Q03164 1/20 0.47
MAPK1 P28482 2/20 0.44
LMNA P02545 1/20 0.44
CDK4 P11802 1/20 0.42
CCND1 P24385 1/20 0.42
TFPI2 P48307 1/20 0.42
NPY4R P50391 1/20 0.42
GAA P10253 1/20 0.42
CYP1A2 P05177 2/20 0.41
CYP2C19 P33261 2/20 0.41
CYP2C9 P11712 1/20 0.41
CYP3A4 P08684 1/20 0.41
HTR3E A5X5Y0 1/20 0.40
HTR3B O95264 1/20 0.40

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
SCHEMBL30452280 1.00 NOTUM (0.65) NOTUMTSHRRAB9AL3MBTL1CYP11B1
SCHEMBL13041449 0.86 NOTUM (0.57) NOTUMTSHRRAB9AL3MBTL1CYP11B1
SCHEMBL30452423 0.86 NOTUM (0.61) NOTUMTSHRRAB9AL3MBTL1CYP11B1
SCHEMBL3004386 0.86 NOTUM (0.61) NOTUMTSHRRAB9AL3MBTL1CYP11B1
SCHEMBL25937249 0.83 NOTUM (0.61) NOTUMTSHRRAB9AL3MBTL1KMT2A
SCHEMBL28244322 0.83 NOTUM (0.57) NOTUMTSHRRAB9AL3MBTL1LMNA
SCHEMBL31470926 0.82 NOTUM (0.66) NOTUMTSHRRAB9AL3MBTL1KMT2A
SCHEMBL6665481 0.82 NOTUM (0.66) NOTUMTSHRRAB9AL3MBTL1KMT2A
SCHEMBL1563100 0.82 NOTUM (0.56) NOTUMTSHRRAB9AL3MBTL1
Hydrochloric Acid SCHEMBL25430303 0.81 NOTUM (0.59) NOTUMTSHRRAB9AL3MBTL1KMT2A

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-20100189671-A1 INDOLE AMIDES AS PERFUMING INGREDIENTS FIRMENICH SA 2010-07-29 US claimed
CN-101754952-A Indole amides as perfuming ingredients FIRMENICH & CIE 2010-06-23 CN claimed
EP-2185509-A2 INDOLE AMIDES AS PERFUMING INGREDIENTS Firmenich S.A. (CH) 2010-05-19 EP claimed
WO-2009016583-A2 INDOLE AMIDES AS PERFUMING INGREDIENTS FIRMENICH SA (CH) 2009-02-05 WO claimed
CN-113912529-B Method for synthesizing indole compounds by catalyzing N-aryl amide compounds and vinylene carbonate with ruthenium 成都大学 2023-07-25 CN disclosed
CN-113912529-A Method for synthesizing indole compound by catalyzing N-aryl amide compound and vinylene carbonate with ruthenium 成都大学 2022-01-11 CN disclosed
CN-108530335-B Indole compound and preparation method and application thereof 华南农业大学 2021-08-31 CN disclosed
US-20100189671-A1 INDOLE AMIDES AS PERFUMING INGREDIENTS FIRMENICH SA 2010-07-29 US disclosed
CN-101754952-A Indole amides as perfuming ingredients FIRMENICH & CIE 2010-06-23 CN disclosed
EP-2185509-A2 INDOLE AMIDES AS PERFUMING INGREDIENTS Firmenich S.A. (CH) 2010-05-19 EP disclosed
WO-2009016583-A2 INDOLE AMIDES AS PERFUMING INGREDIENTS FIRMENICH SA (CH) 2009-02-05 WO disclosed
US-4774240-A ANTICOAGULANTS, ANTIALLERGENS, ANTIHISTAMINES BAYER AKTIENGESELLSCHAFT (DE) 1988-09-27 US 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-20100189671-A1 INDOLE AMIDES AS PERFUMING INGREDIENTS TPH2, TPH1, AANAT NOTUM 439/4885TSHR 3412/4885RAB9A 3853/4885

“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.