SCHEMBL10007958

SCHEMBL10007958

O=C(CCc1cccc(F)c1)Nc1ncc(Cc2ccc3ccccc3c2)s1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SIRT2 Q8IXJ6 5/20 0.57
▸ JAK2 O60674 1/20 0.53
▸ ZAP70 P43403 1/20 0.53
▸ SYK P43405 1/20 0.53
▸ SCD O00767 2/20 0.48
▸ NPC1 O15118 5/20 0.48
▸ RAB9A P51151 4/20 0.48
▸ MEN1 O00255 3/20 0.48
▸ KMT2A Q03164 3/20 0.48
▸ MAPT P10636 3/20 0.48
▸ KDM4E B2RXH2 2/20 0.48
▸ ALDH1A1 P00352 2/20 0.48
▸ HPGD P15428 2/20 0.48
▸ LMNA P02545 3/20 0.47
▸ TP53 P04637 1/20 0.46
▸ GPER1 Q99527 1/20 0.46
▸ NFKB1 P19838 1/20 0.45
▸ NFKB2 Q00653 1/20 0.45
▸ RELA Q04206 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL10008337 0.91 SIRT2 (0.60) SIRT2JAK2ZAP70SYKNPC1
SCHEMBL10008564 0.90 SIRT2 (0.63) SIRT2JAK2ZAP70SYKNPC1
SCHEMBL10299104 0.88 MAPT (0.63) SIRT2JAK2ZAP70SYKNPC1
SCHEMBL10008888 0.87 SIRT2 (0.58) SIRT2JAK2ZAP70SYKSCD
SCHEMBL10008527 0.85 SIRT2 (0.58) SIRT2JAK2ZAP70SYKNPC1
SCHEMBL10008705 0.81 JAK2 (0.69) SIRT2JAK2ZAP70SYKSCD
SCHEMBL10009807 0.80 SCD (0.57) SIRT2JAK2ZAP70SYKSCD
SCHEMBL10009447 0.80 PKM (0.62) SIRT2JAK2ZAP70SYKNPC1
SCHEMBL10008638 0.80 SCD (0.54) SIRT2JAK2ZAP70SYKSCD
SCHEMBL10008543 0.79 KMT2A (0.65) SIRT2JAK2ZAP70SYKNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8883793-B2 Tubulin inhibitors and methods of using the same DEVELOPMENT CENTER FOR BIOTECHNOLOGY (TW) 2014-11-11 — — US claimed
WO-2012092471-A2 NOVEL TUBULIN INHIBITORS AND METHODS OF USING THE SAME DEVELOPMENT CENTER FOR BIOTECHNOLOGY (TW) 2012-07-05 — — WO claimed
US-20120172374-A1 NOVEL TUBULIN INHIBITORS AND METHODS OF USING THE SAME DEVELOPMENT CENTER FOR BIOTECHNOLOGY (TW) 2012-07-05 — — US claimed
US-8883793-B2 Tubulin inhibitors and methods of using the same DEVELOPMENT CENTER FOR BIOTECHNOLOGY (TW) 2014-11-11 — — US disclosed
US-8883793-B2 Tubulin inhibitors and methods of using the same DEVELOPMENT CENTER FOR BIOTECHNOLOGY (TW) 2014-11-11 — — US disclosed
US-20120172374-A1 NOVEL TUBULIN INHIBITORS AND METHODS OF USING THE SAME DEVELOPMENT CENTER FOR BIOTECHNOLOGY (TW) 2012-07-05 — — US disclosed
US-20120172374-A1 NOVEL TUBULIN INHIBITORS AND METHODS OF USING THE SAME DEVELOPMENT CENTER FOR BIOTECHNOLOGY (TW) 2012-07-05 — — 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-20120172374-A1 NOVEL TUBULIN INHIBITORS AND METHODS OF USING THE SAME TUBB1, TUBA1C, TUBB SIRT2 3179/4885JAK2 2436/4885ZAP70 2941/4885

“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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