SCHEMBL21045382

SCHEMBL21045382

Cc1ccc(-c2ccc(CCCC(=O)Nc3cccnc3)cc2)cn1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 5/20 0.57
LMNA P02545 4/20 0.56
POLB P06746 2/20 0.56
USP2 O75604 1/20 0.55
HDAC3 O15379 3/20 0.54
HDAC1 Q13547 3/20 0.54
HDAC2 Q92769 3/20 0.54
HDAC4 P56524 2/20 0.54
HDAC7 Q8WUI4 2/20 0.54
HDAC10 Q969S8 2/20 0.54
HDAC11 Q96DB2 2/20 0.54
HDAC8 Q9BY41 2/20 0.54
HDAC6 Q9UBN7 2/20 0.54
HDAC9 Q9UKV0 2/20 0.54
HDAC5 Q9UQL6 2/20 0.54
MEN1 O00255 1/20 0.53
NPC1 O15118 1/20 0.53
CASP3 P42574 1/20 0.53
RAB9A P51151 1/20 0.53
KMT2A Q03164 1/20 0.53

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
SCHEMBL29411632 1.00 TRPV1 (0.57) TRPV1LMNAPOLBUSP2HDAC3
SCHEMBL29411532 0.89 HDAC3 (0.60) TRPV1LMNAPOLBUSP2HDAC3
SCHEMBL21045563 0.89 HDAC3 (0.60) TRPV1LMNAPOLBUSP2HDAC3
SCHEMBL21045120 0.88 PORCN (0.64) TRPV1LMNAPOLBUSP2HDAC3
SCHEMBL29411553 0.88 PORCN (0.64) TRPV1LMNAPOLBUSP2HDAC3
SCHEMBL21045377 0.87 LMNA (0.54) TRPV1LMNAPOLBUSP2HDAC3
SCHEMBL29411574 0.87 LMNA (0.54) TRPV1LMNAPOLBUSP2HDAC3
SCHEMBL21045372 0.87 LMNA (0.64) TRPV1LMNAPOLBUSP2HDAC3
SCHEMBL21045456 0.87 HDAC3 (0.60) TRPV1LMNAPOLBUSP2HDAC3
SCHEMBL29411426 0.87 HDAC3 (0.60) TRPV1LMNAPOLBUSP2HDAC3

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 TRPV1 4663/4885LMNA 2547/4885POLB 350/4885
US-11040945-B2 Tubulin inhibitors TUBB3, TUBB1, TUBB TRPV1 4663/4885LMNA 2547/4885POLB 350/4885
US-20190169127-A1 TUBULIN INHIBITORS TUBB3, TUBB1, TUBB TRPV1 4663/4885LMNA 2547/4885POLB 350/4885

“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.