SCHEMBL21045397

SCHEMBL21045397

O=C(NCCCc1ccc(-c2ccccc2F)cc1)c1ccc[nH]1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.51
ALDH1A1 P00352 2/20 0.48
MAPT P10636 2/20 0.48
MEN1 O00255 1/20 0.48
CYP3A4 P08684 1/20 0.48
TSHR P16473 1/20 0.48
MAPKAPK2 P49137 1/20 0.48
KMT2A Q03164 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
HDAC3 O15379 2/20 0.46
HDAC1 Q13547 2/20 0.46
HDAC4 P56524 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC10 Q969S8 1/20 0.46
HDAC11 Q96DB2 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
HDAC9 Q9UKV0 1/20 0.46
HDAC5 Q9UQL6 1/20 0.46

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
SCHEMBL29411545 1.00 LMNA (0.51) LMNAALDH1A1MAPTMEN1CYP3A4
SCHEMBL29411646 0.81 SMN1; SMN2 (0.49) ALDH1A1MAPTMEN1CYP3A4TSHR
SCHEMBL21045218 0.81 SMN1; SMN2 (0.49) ALDH1A1MAPTMEN1CYP3A4TSHR
SCHEMBL21045536 0.81 HIF1A (0.49) ALDH1A1MAPTMEN1CYP3A4TSHR
SCHEMBL29411413 0.81 HIF1A (0.49) ALDH1A1MAPTMEN1CYP3A4TSHR
SCHEMBL21045288 0.80 MAPT (0.51) ALDH1A1MAPTMEN1CYP3A4TSHR
SCHEMBL29411601 0.80 MAPT (0.51) ALDH1A1MAPTMEN1CYP3A4TSHR
SCHEMBL21045396 0.80 HIF1A (0.50) ALDH1A1MAPTMEN1CYP3A4TSHR
SCHEMBL29411495 0.80 HIF1A (0.50) ALDH1A1MAPTMEN1CYP3A4TSHR
SCHEMBL21045375 0.79 POLB (0.56) MEN1KMT2AHDAC3HDAC1HDAC4

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 LMNA 2547/4885ALDH1A1 3048/4885MAPT 24/4885
US-11040945-B2 Tubulin inhibitors TUBB3, TUBB1, TUBB LMNA 2547/4885ALDH1A1 3048/4885MAPT 24/4885
US-20190169127-A1 TUBULIN INHIBITORS TUBB3, TUBB1, TUBB LMNA 2547/4885ALDH1A1 3048/4885MAPT 24/4885

“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.