SCHEMBL21045111

SCHEMBL21045111

O=C(CCCc1ccc2cc[nH]c2c1)Nc1ccc(O)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 3/20 0.57
HDAC2 Q92769 2/20 0.57
TRPV1 Q8NER1 2/20 0.56
NLRP3 Q96P20 2/20 0.56
MEN1 O00255 1/20 0.49
ALDH1A1 P00352 1/20 0.49
CYP3A4 P08684 1/20 0.49
MAPT P10636 1/20 0.49
TSHR P16473 1/20 0.49
MAPKAPK2 P49137 1/20 0.49
KMT2A Q03164 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
MAOA P21397 1/20 0.46
BACE1 P56817 1/20 0.45
CNR1 P21554 4/20 0.45
CNR2 P34972 3/20 0.45
HDAC8 Q9BY41 2/20 0.44
HDAC3 O15379 1/20 0.44
HDAC4 P56524 1/20 0.44
HDAC7 Q8WUI4 1/20 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
SCHEMBL29411451 1.00 HDAC1 (0.57) HDAC1HDAC2TRPV1NLRP3MEN1
SCHEMBL3212544 0.78 BACE1 (0.50) HDAC1HDAC2NLRP3ALDH1A1BACE1
SCHEMBL18132167 0.77 CYP1A2 (0.58) HDAC1HDAC2NLRP3ALDH1A1SMN1; SMN2
SCHEMBL29411573 0.76 TRPV1 (0.61) HDAC1HDAC2TRPV1MEN1ALDH1A1
SCHEMBL21045184 0.76 TRPV1 (0.61) HDAC1HDAC2TRPV1MEN1ALDH1A1
SCHEMBL21274687 0.76 HDAC1 (0.66) HDAC1HDAC2NLRP3MAOAHDAC8
SCHEMBL19860092 0.74 HDAC1 (0.50) HDAC1HDAC2NLRP3
SCHEMBL9478935 0.74 HDAC1 (0.72) HDAC1HDAC2NLRP3ALDH1A1SMN1; SMN2
SCHEMBL21045088 0.74 TRPV1 (0.54) HDAC1HDAC2TRPV1MEN1ALDH1A1
SCHEMBL21045307 0.74 MAPT (0.61) HDAC1HDAC2TRPV1MEN1ALDH1A1

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 HDAC1 197/4885HDAC2 560/4885TRPV1 4663/4885
US-11040945-B2 Tubulin inhibitors TUBB3, TUBB1, TUBB HDAC1 197/4885HDAC2 560/4885TRPV1 4663/4885
US-20190169127-A1 TUBULIN INHIBITORS TUBB3, TUBB1, TUBB HDAC1 197/4885HDAC2 560/4885TRPV1 4663/4885

“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.