SCHEMBL16178361

SCHEMBL16178361

O=C(Nc1ccc(OCCN2CCOCC2)cc1)N1CCNCC1

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 10/20 0.57
▸ BLM P54132 1/20 0.54
▸ BRAF P15056 1/20 0.53
▸ MAPK14 Q16539 1/20 0.53
▸ KDR P35968 1/20 0.53
▸ GAA P10253 1/20 0.53
▸ SMN1; SMN2 Q16637 1/20 0.53
▸ KDM4E B2RXH2 1/20 0.52
▸ ALDH1A1 P00352 1/20 0.52
▸ KMT2A Q03164 1/20 0.50
▸ TSHR P16473 1/20 0.50

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
SCHEMBL4974321 0.82 EPHX2 (0.70) EPHX2BRAFMAPK14KDRGAA
SCHEMBL11926736 0.81 KDM4E (0.65) EPHX2BRAFMAPK14KDRGAA
Hydrochloric Acid SCHEMBL6336743 0.80 FAAH (0.60) SMN1; SMN2KDM4EALDH1A1KMT2A
SCHEMBL27647454 0.78 KMT2A (0.61) GAASMN1; SMN2ALDH1A1KMT2A
SCHEMBL21659595 0.76 NPC1 (0.58) GAASMN1; SMN2KDM4EALDH1A1TSHR
SCHEMBL7862109 0.76 KDR (0.63) EPHX2BRAFMAPK14KDRGAA
SCHEMBL1801810 0.76 CD274 (0.62) EPHX2BRAFMAPK14KDRGAA
SCHEMBL31289932 0.75 EPHX2 (0.65) EPHX2BRAFMAPK14KDRGAA
Hydrochloric Acid SCHEMBL10768966 0.75 EPHX2 (0.57) EPHX2BRAFMAPK14KDRGAA
SCHEMBL10378 0.74 LIPE (0.58) EPHX2KDRGAASMN1; SMN2KDM4E

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-9096614-B2 Therapeutically active thiazolo-pyrimidine derivatives UCB PHARMA SA (BE) 2015-08-04 — — US disclosed
US-20140315885-A1 Therapeutically Active Thiazolo-Pyrimidine Derivatives UCB PHARMA SA (BE) 2014-10-23 — — 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-20140315885-A1 Therapeutically Active Thiazolo-Pyrimidine Derivatives TPMT, IFNG, IRF3 EPHX2 3190/4885BLM 619/4885BRAF 638/4885

“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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