SCHEMBL10009261

SCHEMBL10009261

O=C(CCc1cccnc1)Nc1ncc(Cc2ccc(C(F)(F)F)cc2)s1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 4/20 0.50
▸ TRPV1 Q8NER1 1/20 0.48
▸ SIRT2 Q8IXJ6 1/20 0.48
▸ SCD O00767 4/20 0.48
▸ LMNA P02545 6/20 0.47
▸ MEN1 O00255 5/20 0.47
▸ KMT2A Q03164 5/20 0.47
▸ SMN1; SMN2 Q16637 4/20 0.47
▸ MAPT P10636 3/20 0.47
▸ NPC1 O15118 4/20 0.47
▸ RAB9A P51151 4/20 0.47
▸ TP53 P04637 2/20 0.47
▸ NFKB1 P19838 3/20 0.45
▸ NFKB2 Q00653 3/20 0.45
▸ RELA Q04206 3/20 0.45
▸ ALDH1A1 P00352 3/20 0.45
▸ MAPK1 P28482 1/20 0.45
▸ POLB P06746 1/20 0.45
▸ KDM4E B2RXH2 3/20 0.44
▸ HPGD P15428 2/20 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
SCHEMBL10009298 0.90 LMNA (0.55) ABL1SIRT2SCDLMNAMEN1
SCHEMBL10009184 0.89 NPC1 (0.56) ABL1SIRT2LMNAMEN1KMT2A
SCHEMBL10008147 0.86 SIRT2 (0.55) ABL1SIRT2LMNAMEN1KMT2A
SCHEMBL10008763 0.85 MEN1 (0.57) ABL1TRPV1SIRT2SCDLMNA
SCHEMBL10299109 0.84 MEN1 (0.59) ABL1SIRT2SCDLMNAMEN1
SCHEMBL10009862 0.84 JAK2 (0.60) ABL1SIRT2SCDLMNAMEN1
SCHEMBL10009445 0.84 ABL1 (0.57) ABL1SIRT2SCDLMNAMEN1
SCHEMBL16085538 0.84 LMNA (0.53) ABL1SIRT2SCDLMNAMEN1
SCHEMBL10009377 0.82 SIRT2 (0.46) SIRT2LMNAMEN1KMT2ASMN1; SMN2
SCHEMBL10008527 0.82 SIRT2 (0.58) SIRT2LMNAMEN1KMT2AMAPT

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 ABL1 1587/4885TRPV1 4526/4885SIRT2 3179/4885

“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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