SCHEMBL21045440

SCHEMBL21045440

Fc1ccccc1-c1ccc(CCc2noc(-c3cccnc3)n2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.50
MAPT P10636 4/20 0.50
TSHR P16473 4/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
HTT P42858 1/20 0.50
ATM Q13315 1/20 0.50
POLB P06746 2/20 0.47
SMN1; SMN2 Q16637 7/20 0.47
TP53 P04637 4/20 0.47
CHRNB2 P17787 2/20 0.46
CHRNA5 P30532 2/20 0.46
CHRNA4 P43681 2/20 0.46
NPC1 O15118 8/20 0.45
RAB9A P51151 8/20 0.45
KDM4E B2RXH2 3/20 0.45
HPGD P15428 3/20 0.45
HSD17B10 Q99714 2/20 0.45
S1PR1 P21453 2/20 0.44
PKM P14618 4/20 0.43
KDR P35968 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
SCHEMBL29411633 1.00 ALDH1A1 (0.50) ALDH1A1MAPTTSHRL3MBTL1HTT
SCHEMBL29411449 0.82 SMN1; SMN2 (0.46) ALDH1A1MAPTTSHRL3MBTL1HTT
SCHEMBL21045237 0.82 SMN1; SMN2 (0.46) ALDH1A1MAPTTSHRL3MBTL1HTT
SCHEMBL21045251 0.78 KDR (0.48) ALDH1A1HTTSMN1; SMN2TP53NPC1
SCHEMBL29411379 0.78 KDR (0.48) ALDH1A1HTTSMN1; SMN2TP53NPC1
SCHEMBL21045274 0.76 TRPA1 (0.41) ALDH1A1MAPTL3MBTL1SMN1; SMN2TP53
SCHEMBL29411362 0.76 TRPA1 (0.41) ALDH1A1MAPTL3MBTL1SMN1; SMN2TP53
SCHEMBL21045259 0.76 NPC1 (0.62) ALDH1A1MAPTTSHRL3MBTL1HTT
SCHEMBL29411556 0.76 NPC1 (0.62) ALDH1A1MAPTTSHRL3MBTL1HTT
SCHEMBL21045500 0.74 FAAH (0.47) HTTSMN1; SMN2TP53NPC1RAB9A

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 ALDH1A1 3048/4885MAPT 24/4885TSHR 4224/4885
US-11040945-B2 Tubulin inhibitors TUBB3, TUBB1, TUBB ALDH1A1 3048/4885MAPT 24/4885TSHR 4224/4885
US-20190169127-A1 TUBULIN INHIBITORS TUBB3, TUBB1, TUBB ALDH1A1 3048/4885MAPT 24/4885TSHR 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.