SCHEMBL21045353

SCHEMBL21045353

Cc1ccc(C(=O)NCCOc2ccc(-c3ccccc3F)cc2)cn1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.53
MEN1 O00255 1/20 0.53
NPC1 O15118 6/20 0.51
TDP1 Q9NUW8 1/20 0.49
KDM4E B2RXH2 1/20 0.49
HIF1A Q16665 1/20 0.47
RAB9A P51151 5/20 0.47
HPGD P15428 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
POLB P06746 1/20 0.46
CASP3 P42574 1/20 0.46
SENP7 Q9BQF6 1/20 0.46
ALDH1A1 P00352 2/20 0.46
MAPT P10636 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
LMNA P02545 1/20 0.46
CNR1 P21554 1/20 0.44
RECQL P46063 1/20 0.44
PDE4B Q07343 1/20 0.43

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
SCHEMBL29411582 1.00 KMT2A (0.53) KMT2AMEN1NPC1TDP1KDM4E
SCHEMBL29411410 0.83 KDM4E (0.55) KMT2ANPC1TDP1KDM4EHIF1A
SCHEMBL21045178 0.83 KDM4E (0.55) KMT2ANPC1TDP1KDM4EHIF1A
SCHEMBL21045589 0.81 KDM4E (0.47) KMT2ANPC1KDM4EHIF1ARAB9A
SCHEMBL29411415 0.81 KDM4E (0.47) KMT2ANPC1KDM4EHIF1ARAB9A
SCHEMBL21045182 0.81 EPHX2 (0.48) KMT2ANPC1KDM4EHIF1ARAB9A
SCHEMBL29411419 0.81 EPHX2 (0.48) KMT2ANPC1KDM4EHIF1ARAB9A
SCHEMBL21045312 0.77 GABRA5 (0.47) KMT2ANPC1KDM4EHIF1ARAB9A
SCHEMBL29411418 0.77 GABRA5 (0.47) KMT2ANPC1KDM4EHIF1ARAB9A
SCHEMBL21045159 0.76 PTAFR (0.53) NPC1KDM4ERAB9APOLBALDH1A1

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-20220089539-A1 TUBULIN INHIBITORS LIN BIOSCIENCE INC. (TW) 2022-03-24 US disclosed
US-20220089539-A1 TUBULIN INHIBITORS LIN BIOSCIENCE INC. (TW) 2022-03-24 US disclosed
US-11040945-B2 Tubulin inhibitors LIN BIOSCIENCE PTY LTD. 2021-06-22 US disclosed
US-11040945-B2 Tubulin inhibitors LIN BIOSCIENCE PTY LTD. 2021-06-22 US disclosed
WO-2019113242-A1 TUBULIN INHIBITORS Lin BioScience, LLC (US) 2019-06-13 WO disclosed
US-20190169127-A1 TUBULIN INHIBITORS LIN BIOSCIENCE INC. (TW) 2019-06-06 US disclosed
US-20190169127-A1 TUBULIN INHIBITORS LIN BIOSCIENCE INC. (TW) 2019-06-06 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 (3 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-20220089539-A1 TUBULIN INHIBITORS TUBB3, TUBB1, TUBB KMT2A 2339/4885MEN1 955/4885NPC1 421/4885
US-11040945-B2 Tubulin inhibitors TUBB3, TUBB1, TUBB KMT2A 2339/4885MEN1 955/4885NPC1 421/4885
US-20190169127-A1 TUBULIN INHIBITORS TUBB3, TUBB1, TUBB KMT2A 2339/4885MEN1 955/4885NPC1 421/4885

“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.