SCHEMBL13302155

SCHEMBL13302155

Cc1cc2ccccc2c(-c2c[nH]c3ccccc23)c1C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.51
▸ SMN1; SMN2 Q16637 4/20 0.51
▸ ALDH1A1 P00352 3/20 0.51
▸ LMNA P02545 1/20 0.51
▸ CYP1A2 P05177 1/20 0.51
▸ CYP3A4 P08684 1/20 0.51
▸ CYP2D6 P10635 1/20 0.51
▸ CYP2C9 P11712 1/20 0.51
▸ CYP2C19 P33261 1/20 0.51
▸ NPSR1 Q6W5P4 1/20 0.51
▸ GPR55 Q9Y2T6 1/20 0.51
▸ ATM Q13315 2/20 0.49
▸ DHFR P00374 2/20 0.45
▸ PDGFRB P09619 1/20 0.44
▸ PDGFRA P16234 1/20 0.44
▸ KDM4E B2RXH2 4/20 0.44
▸ NPC1 O15118 3/20 0.44
▸ MEN1 O00255 3/20 0.44
▸ KMT2A Q03164 3/20 0.44
▸ TUBB4A P04350 1/20 0.44

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
SCHEMBL13302161 0.88 MAPT (0.43) MAPTSMN1; SMN2ALDH1A1LMNACYP1A2
SCHEMBL13302154 0.82 PTPN1 (0.49) MAPTSMN1; SMN2ALDH1A1LMNACYP1A2
SCHEMBL22044207 0.80 ATM (0.55) MAPTSMN1; SMN2ALDH1A1LMNACYP1A2
SCHEMBL13302165 0.79 DYRK1A (0.56) PRKD3CCNB2CDK1PIM1CCNB1
SCHEMBL31001028 0.77 CYP1A2 (0.52) MAPTALDH1A1CYP1A2CYP3A4NPSR1
SCHEMBL21693353 0.76 ATM (0.59) MAPTSMN1; SMN2ALDH1A1LMNACYP1A2
SCHEMBL3132450 0.76 PDGFRB (0.56) MAPTCYP1A2NPSR1ATMDHFR
SCHEMBL13302160 0.76 HTT (0.44) MAPTSMN1; SMN2ALDH1A1KDM4ENR4A2
SCHEMBL13302379 0.75 MAPT (0.51) MAPTSMN1; SMN2ALDH1A1LMNACYP1A2
SCHEMBL5178631 0.75 ALDH1A1 (0.47) ALDH1A1CYP1A2DHFRKDM4EMAOB

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-8362066-B2 Compounds and methods for treating protein folding disorders TREVENTIS CORPORATION (US) 2013-01-29 — — US disclosed
US-20100144821-A1 COMPOUNDS AND METHODS FOR TREATING PROTEIN FOLDING DISORDERS QUEEN'S UNIVERSITY AT KINGSTON (CA) 2010-06-10 — — 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-20100144821-A1 COMPOUNDS AND METHODS FOR TREATING PROTEIN FOLDING DISORDERS SNCA, MAPT, APP MAPT 2/4885SMN1; SMN2 141/4885ALDH1A1 3687/4885

“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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