SCHEMBL17916135

SCHEMBL17916135

CC(C)(C)c1cc(C(=O)N2CCCC2)ncn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 4/20 0.43
▸ LMNA P02545 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ NPC1 O15118 6/20 0.43
▸ RAB9A P51151 6/20 0.43
▸ HPGD P15428 5/20 0.43
▸ ALDH1A1 P00352 3/20 0.43
▸ TP53 P04637 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ YEATS4 O95619 1/20 0.41
▸ PTK2 Q05397 1/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ GNE Q9Y223 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ GAA P10253 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ PIK3CD O00329 1/20 0.38
▸ PIK3CA P42336 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
SCHEMBL17918829 0.79 HPGD (0.46) SMN1; SMN2NPC1RAB9AHPGDALDH1A1
SCHEMBL24714018 0.76 CDK8 (0.43) SMN1; SMN2LMNAHSD17B10NPC1RAB9A
SCHEMBL14868382 0.75 SMN1; SMN2 (0.71) SMN1; SMN2LMNAHSD17B10NPC1RAB9A
SCHEMBL24312295 0.74 KMO (0.46) —
SCHEMBL17207185 0.74 SMN1; SMN2 (0.69) SMN1; SMN2LMNAHSD17B10NPC1RAB9A
SCHEMBL22601453 0.74 SMN1; SMN2 (0.69) SMN1; SMN2LMNAHSD17B10NPC1RAB9A
SCHEMBL803484 0.74 SMN1; SMN2 (0.49) SMN1; SMN2LMNAHSD17B10NPC1RAB9A
SCHEMBL9363737 0.71 NPC1 (0.50) SMN1; SMN2LMNANPC1RAB9AHPGD
SCHEMBL24714758 0.70 LMNA (0.35) SMN1; SMN2LMNANPC1RAB9AALDH1A1
SCHEMBL24714761 0.70 BAZ2B (0.39) SMN1; SMN2LMNAHSD17B10NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9695182-B2 Chemical compounds (derivatives) and their application for the treatment of oncological diseases LIMITED LIABILITY COMPANY “NATIONAL PHARMACEUTICAL TECHNOLOGIES” (RU) 2017-07-04 — — US disclosed
US-9695182-B2 Chemical compounds (derivatives) and their application for the treatment of oncological diseases LIMITED LIABILITY COMPANY “NATIONAL PHARMACEUTICAL TECHNOLOGIES” (RU) 2017-07-04 — — US disclosed
US-20160200729-A1 NEW CHEMICAL COMPOUNDS (DERIVATIVES) AND THEIR APPLICATION FOR THE TREATMENT OF ONCOLOGICAL DISEASES LIMITED LIABILITY COMPANY (RU) 2016-07-14 — — 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-20160200729-A1 NEW CHEMICAL COMPOUNDS (DERIVATIVES) AND THEIR APPLICATION FOR THE TREATMENT OF ONCOLOGICAL DISEASES BRAF, CNKSR1, RAF1 SMN1; SMN2 3750/4885LMNA 1297/4885HSD17B10 2744/4885

“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.

Send feedback