SCHEMBL12986289

SCHEMBL12986289

Cc1cc(C(C)C)nc(N2CCNCC2)n1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CASP1 P29466 1/20 0.47
▸ CASP4 P49662 1/20 0.47
▸ CASP5 P51878 1/20 0.47
▸ HRH1 P35367 1/20 0.46
▸ USP2 O75604 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ ROCK2 O75116 2/20 0.43
▸ NCF1 P14598 2/20 0.42
▸ ADRB2 P07550 1/20 0.42
▸ ADRB1 P08588 1/20 0.42
▸ SORD Q00796 2/20 0.41
▸ TSHR P16473 1/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ KDM4E B2RXH2 2/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ HTR2A P28223 1/20 0.39
▸ APAF1 O14727 1/20 0.39
▸ POLB P06746 1/20 0.39

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
SCHEMBL12986688 0.85 GBA1 (0.47) CASP1CASP4CASP5USP2SMN1; SMN2
SCHEMBL12986250 0.85 KMT2A (0.44) USP2SORDKMT2AKDM4EALDH1A1
SCHEMBL1515373 0.84 CASP1 (0.58) CASP1CASP4CASP5HRH1USP2
SCHEMBL12141944 0.83 GBA1 (0.46) USP2SMN1; SMN2SORDKMT2AKDM4E
Hydrochloric Acid SCHEMBL8582022 0.83 CASP1 (0.56) CASP1CASP4CASP5HRH1USP2
SCHEMBL12990426 0.81 SORD (0.47) USP2SORDKMT2AKDM4EALDH1A1
SCHEMBL11960321 0.81 KMT2A (0.64) TDP1TSHRKMT2AKDM4EALDH1A1
SCHEMBL12990165 0.80 CASP1 (0.44) CASP1CASP4CASP5HRH1USP2
SCHEMBL12986274 0.78 KDM4E (0.50) USP2SMN1; SMN2SORDTSHRKMT2A
SCHEMBL20042186 0.78 CASP1 (0.51) CASP1CASP4CASP5HRH1USP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11746116-B2 Antibiotic resistance breakers KING'S COLLEGE LONDON (GB) 2023-09-05 — — US disclosed
US-11746116-B2 Antibiotic resistance breakers KING'S COLLEGE LONDON (GB) 2023-09-05 — — US disclosed
US-8486950-B2 Janus kinase inhibitor compounds and methods F. HOFFMANN-LA ROCHE AG (CH) 2013-07-16 — — US disclosed
US-20100317643-A1 JANUS KINASE INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2010-12-16 — — 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 (2 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-11746116-B2 Antibiotic resistance breakers ABCC1, ARL1, AKR1C3 CASP1 31/4885CASP4 749/4885CASP5 1509/4885
US-20100317643-A1 JANUS KINASE INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 CASP1 1706/4885CASP4 2849/4885CASP5 3066/4885

“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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