SCHEMBL20375682

SCHEMBL20375682

CC(C)Cc1ccc2ccc(CC(C)c3cnccn3)nc2c1

nearest known ligand 0.33

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ NOS1 P29475 6/20 0.33
▸ NOS2 P35228 4/20 0.33
▸ ALOX5AP P20292 2/20 0.33
▸ ABL1 P00519 1/20 0.33
▸ HPGDS O60760 1/20 0.32
▸ CYSLTR2 Q9NS75 2/20 0.31
▸ CYSLTR1 Q9Y271 2/20 0.31
▸ ESR1 P03372 1/20 0.31
▸ ESR2 Q92731 1/20 0.31
▸ GABRA1 P14867 1/20 0.31
▸ GABRB2 P47870 1/20 0.31
▸ ATM Q13315 1/20 0.30
▸ HTR2A P28223 1/20 0.30
▸ HTR2C P28335 1/20 0.30
▸ HTR2B P41595 1/20 0.30
▸ KDM4E B2RXH2 1/20 0.30
▸ POLB P06746 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL20832578 0.78 — —
SCHEMBL20285552 0.72 ESR1 (0.38) ABL1HPGDSESR1ESR2HTR2A
SCHEMBL23661911 0.70 CYP1A2 (0.36) NOS1NOS2ESR1ESR2ATM
SCHEMBL18910654 0.70 HRH4 (0.32) —
SCHEMBL22639289 0.70 ESR1 (0.36) ESR1ESR2ATMKDM4ESMN1; SMN2
SCHEMBL26676319 0.69 ESR1 (0.33) ESR1ESR2KDM4ESMN1; SMN2
SCHEMBL26396496 0.68 CYP2D6 (0.32) ATMKDM4ESMN1; SMN2
SCHEMBL13034790 0.68 ALDH1A1 (0.53) GABRA1GABRB2HTR2AHTR2CHTR2B
SCHEMBL5018922 0.66 GABRA1 (0.44) GABRA1GABRB2KDM4EPOLBSMN1; SMN2
SCHEMBL23330362 0.66 EGFR (0.50) ABL1GABRA1GABRB2

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-10973810-B2 Methods for the treatment of neurological disorders YUMANITY THERAPEUTICS, INC. (US) 2021-04-13 — — US disclosed
US-20180193325-A1 METHODS FOR THE TREATMENT OF NEUROLOGICAL DISORDERS JANSSEN PHARMACEUTICA NV (BE) 2018-07-12 — — 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-10973810-B2 Methods for the treatment of neurological disorders NLN, CLN6, OTC NOS1 3176/4885NOS2 2458/4885ALOX5AP 1876/4885
US-20180193325-A1 METHODS FOR THE TREATMENT OF NEUROLOGICAL DISORDERS NLN, CLN6, OTC NOS1 3176/4885NOS2 2458/4885ALOX5AP 1876/4885

“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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