SCHEMBL21045324

SCHEMBL21045324

O=C(NCCCc1ccc(-c2ccccc2F)cc1)C1CCOCC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.48
ALDH1A1 P00352 3/20 0.46
TSHR P16473 2/20 0.46
MEN1 O00255 1/20 0.46
CYP3A4 P08684 1/20 0.46
MAPT P10636 1/20 0.46
MAPKAPK2 P49137 1/20 0.46
KMT2A Q03164 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
POLB P06746 2/20 0.44
TP53 P04637 1/20 0.43
GAA P10253 2/20 0.43
KDM4E B2RXH2 1/20 0.43
F10 P00742 1/20 0.43
MTNR1A P48039 2/20 0.42
MTNR1B P49286 2/20 0.42
NPC1 O15118 1/20 0.42
ASAH1 Q13510 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC2 Q92769 1/20 0.42

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
SCHEMBL29411378 1.00 NAMPT (0.48) NAMPTALDH1A1TSHRMEN1CYP3A4
SCHEMBL29411602 0.85 ALDH1A1 (0.48) ALDH1A1TSHRMEN1CYP3A4MAPT
SCHEMBL21045499 0.85 ALDH1A1 (0.48) ALDH1A1TSHRMEN1CYP3A4MAPT
SCHEMBL21045199 0.84 ALDH1A1 (0.47) NAMPTALDH1A1TSHRMEN1CYP3A4
SCHEMBL29411615 0.84 ALDH1A1 (0.47) NAMPTALDH1A1TSHRMEN1CYP3A4
SCHEMBL21045374 0.84 ALDH1A1 (0.47) ALDH1A1TSHRMEN1CYP3A4MAPT
SCHEMBL21045200 0.84 ALDH1A1 (0.47) NAMPTALDH1A1TSHRMEN1CYP3A4
SCHEMBL29411531 0.84 ALDH1A1 (0.47) ALDH1A1TSHRMEN1CYP3A4MAPT
SCHEMBL17117245 0.83 POLB (0.59) NAMPTALDH1A1TSHRMAPTKMT2A
SCHEMBL21045305 0.78 TSHR (0.56) ALDH1A1TSHRMEN1CYP3A4MAPT

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 NAMPT 778/4885ALDH1A1 3048/4885TSHR 4224/4885
US-11040945-B2 Tubulin inhibitors TUBB3, TUBB1, TUBB NAMPT 778/4885ALDH1A1 3048/4885TSHR 4224/4885
US-20190169127-A1 TUBULIN INHIBITORS TUBB3, TUBB1, TUBB NAMPT 778/4885ALDH1A1 3048/4885TSHR 4224/4885

“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.