SCHEMBL1313088

SCHEMBL1313088

CCCCCCCCc1nc(-c2ccc(CN)cc2)cs1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LOXL2 Q9Y4K0 2/20 0.49
▸ TAAR1 Q96RJ0 1/20 0.48
▸ HDAC3 O15379 7/20 0.46
▸ HDAC4 P56524 7/20 0.46
▸ HDAC1 Q13547 7/20 0.46
▸ HDAC7 Q8WUI4 7/20 0.46
▸ HDAC2 Q92769 7/20 0.46
▸ HDAC10 Q969S8 7/20 0.46
▸ HDAC11 Q96DB2 7/20 0.46
▸ HDAC8 Q9BY41 7/20 0.46
▸ HDAC6 Q9UBN7 7/20 0.46
▸ HDAC9 Q9UKV0 7/20 0.46
▸ HDAC5 Q9UQL6 7/20 0.46
▸ SPNS2 Q8IVW8 2/20 0.44
▸ RAB9A P51151 4/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ TLR8 Q9NR97 1/20 0.42
▸ HTR2A P28223 1/20 0.41
▸ MAPT P10636 2/20 0.41
▸ ALDH1A1 P00352 2/20 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
SCHEMBL27913336 0.81 LOXL2 (0.64) LOXL2TAAR1HDAC3HDAC4HDAC1
SCHEMBL1313588 0.80 TSHR (0.55) LOXL2HDAC3HDAC4HDAC1HDAC7
SCHEMBL12351811 0.76 LOXL2 (0.66) LOXL2TAAR1HDAC3HDAC4HDAC1
SCHEMBL6330775 0.75 ATP4A (0.53) LOXL2TAAR1RAB9AMAPTMEN1
SCHEMBL507232 0.72 GAA (0.56) RAB9AKDM4EMAPTALDH1A1NPC1
SCHEMBL13825294 0.72 LTA4H (0.67) RAB9AKDM4EMAPTALDH1A1NPC1
SCHEMBL10087445 0.72 LTA4H (0.60) RAB9AKDM4EHTR2AMAPTALDH1A1
SCHEMBL15257249 0.71 HTR2A (0.64) TAAR1RAB9AKDM4EHTR2AMAPT
SCHEMBL15257246 0.71 HTR2A (0.64) TAAR1RAB9AKDM4EHTR2AMAPT
SCHEMBL394553 0.71 HTR2A (0.76) KDM4EHTR2AALDH1A1

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-20110275673-A1 INHIBITORS OF SPHINGOSINE KINASE 1 GENZYME CORPORATION 2011-11-10 — — US disclosed
US-20110275673-A1 INHIBITORS OF SPHINGOSINE KINASE 1 GENZYME CORPORATION 2011-11-10 — — US disclosed
US-20110275673-A1 INHIBITORS OF SPHINGOSINE KINASE 1 GENZYME CORPORATION 2011-11-10 — — US disclosed
WO-2010033701-A2 INHIBITORS OF SPHINGOSINE KINASE 1 GENZYME CORPORATION (US) 2010-03-25 — — WO 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-20110275673-A1 INHIBITORS OF SPHINGOSINE KINASE 1 SPHK1, SPHK2, S1PR1 LOXL2 1440/4885TAAR1 1905/4885HDAC3 1257/4885

“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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