SCHEMBL8524330

SCHEMBL8524330

CN1C(=O)CCc2cc(C(=O)CCl)ccc21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.52
ALDH1A1 P00352 3/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
KDM4E B2RXH2 2/20 0.49
LMNA P02545 1/20 0.49
RAB9A P51151 1/20 0.49
CYP11B1 P15538 4/20 0.44
CYP11B2 P19099 4/20 0.44
CYP1A2 P05177 2/20 0.44
CYP17A1 P05093 1/20 0.44
CYP19A1 P11511 1/20 0.44
SIRT2 Q8IXJ6 1/20 0.43
NPC1 O15118 1/20 0.43
TTR P02766 1/20 0.43
SMYD3 Q9H7B4 1/20 0.43
TMEM97 Q5BJF2 1/20 0.41
CASP2 P42575 1/20 0.41
HDAC1 Q13547 3/20 0.41
HDAC8 Q9BY41 3/20 0.41
HDAC6 Q9UBN7 3/20 0.41

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
SCHEMBL10838349 0.89 CYP11B1 (0.42) MAPTALDH1A1SMN1; SMN2KDM4ELMNA
SCHEMBL4882731 0.87 SMYD3 (0.55) MAPTALDH1A1SMN1; SMN2KDM4ELMNA
SCHEMBL10861761 0.87 MAPT (0.46) MAPTALDH1A1SMN1; SMN2CYP11B1CYP11B2
SCHEMBL7317599 0.86 CYP11B2 (0.44) MAPTALDH1A1KDM4ECYP11B1CYP11B2
SCHEMBL4856652 0.85 CYP11B2 (0.40) MAPTALDH1A1SMN1; SMN2KDM4ECYP11B1
Hydrochloric Acid SCHEMBL10861752 0.84 SIRT2 (0.45) MAPTALDH1A1KDM4ECYP11B1CYP11B2
SCHEMBL10563001 0.84 TMEM97 (0.46) MAPTLMNACYP11B1CYP11B2CYP1A2
SCHEMBL9366492 0.83 ATAD2 (0.58) MAPTALDH1A1SMN1; SMN2KDM4ELMNA
SCHEMBL27611336 0.82 HSD17B3 (0.44) MAPTALDH1A1RAB9ACYP11B1CYP11B2
SCHEMBL20894244 0.82 LMNA (0.56) MAPTALDH1A1LMNACYP11B1CYP11B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3277678-B1 COMPOSITIONS AND METHODS OF TARGETING MUTANT K-RAS NANTBIO INC (US) 2020-03-18 EP disclosed
US-20180086752-A1 COMPOSITIONS AND METHODS OF TARGETING MUTANT K-RAS NANTBIO, INC. 2018-03-29 US disclosed
WO-1999015524-A1 THIAZOLE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-04-01 WO disclosed
WO-1991000863-A1 HETEROARYL PIPERAZINE ANTIPSYCHOTIC AGENTS PFIZER INC. (US) 1991-01-24 WO disclosed
US-4678785-A CARDIOTONICS, ANTICOAGULANTS YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1987-07-07 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-20180086752-A1 COMPOSITIONS AND METHODS OF TARGETING MUTANT K-RAS KRAS, NRAS, HRAS MAPT 4029/4885ALDH1A1 4472/4885SMN1; SMN2 3468/4885

“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.