SCHEMBL15828895

SCHEMBL15828895

O=C1S/C(=C\c2ccccc2)C(=O)N1CCNC(=O)C(F)(F)F

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.59
▸ LMNA P02545 2/20 0.59
▸ ALDH1A1 P00352 4/20 0.55
▸ SMN1; SMN2 Q16637 3/20 0.55
▸ HTT P42858 2/20 0.55
▸ PSMD14 O00487 1/20 0.55
▸ MMP2 P08253 1/20 0.55
▸ RAD52 P43351 1/20 0.55
▸ MAOA P21397 1/20 0.55
▸ MAOB P27338 1/20 0.55
▸ RAB9A P51151 2/20 0.53
▸ NPC1 O15118 1/20 0.53
▸ PKM P14618 1/20 0.52
▸ AKR1B1 P15121 2/20 0.52
▸ MAPK1 P28482 1/20 0.52
▸ L3MBTL1 Q9Y468 1/20 0.52
▸ KDM4E B2RXH2 1/20 0.52
▸ MITF O75030 1/20 0.51
▸ POLB P06746 1/20 0.51

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
SCHEMBL15828865 0.89 MAPT (0.62) MAPTLMNAALDH1A1SMN1; SMN2RAB9A
SCHEMBL15816052 0.84 MAPK1 (0.64) MAPTLMNASMN1; SMN2MAOAMAOB
SCHEMBL15816050 0.84 MAPK1 (0.64) MAPTLMNASMN1; SMN2MAOAMAOB
SCHEMBL15816049 0.84 MAPK1 (0.64) MAPTLMNASMN1; SMN2MAOAMAOB
SCHEMBL15828896 0.78 KMT2A (0.57) MAPTLMNAALDH1A1SMN1; SMN2HTT
SCHEMBL15828915 0.77 PPARG (0.58) MAPTLMNANPC1AKR1B1
SCHEMBL13446896 0.75 MMP1 (0.73) MAPTLMNAALDH1A1SMN1; SMN2HTT
SCHEMBL17927296 0.74 MYC (0.70) MAPTLMNAALDH1A1SMN1; SMN2RAB9A
SCHEMBL17927295 0.74 MYC (0.70) MAPTLMNAALDH1A1SMN1; SMN2RAB9A
SCHEMBL9011343 0.74 AKR1B1 (0.84) MAPTAKR1B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9115122-B2 Non-ATP dependent inhibitors of extracellular signal-regulated kinase (ERK) UNIVERSITY OF MARYLAND, BALTIMORE (US) 2015-08-25 — — US disclosed
US-20140179743-A1 NON-ATP DEPENDENT INHIBITORS OF EXTRACELLULAR SIGNAL-REGULATED KINASE (ERK) UNIVERSITY OF MARYLAND, BALTIMORE (US) 2014-06-26 — — 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-20140179743-A1 NON-ATP DEPENDENT INHIBITORS OF EXTRACELLULAR SIGNAL-REGULATED KINASE (ERK) MAPK1, MAP3K1, MAP3K20 MAPT 3850/4885LMNA 3633/4885ALDH1A1 1499/4885

“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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