SCHEMBL21045247

SCHEMBL21045247

Cn1cc(C(=O)NCCCc2ccc(-c3ccccc3F)cc2)cn1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.57
HPGD P15428 1/20 0.57
SMN1; SMN2 Q16637 3/20 0.54
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
PDK2 Q15119 1/20 0.45
HIF1A Q16665 1/20 0.45
ALDH1A1 P00352 2/20 0.44
MAPT P10636 2/20 0.44
MEN1 O00255 1/20 0.44
CYP3A4 P08684 1/20 0.44
TSHR P16473 1/20 0.44
MAPKAPK2 P49137 1/20 0.44
KMT2A Q03164 1/20 0.44
EPHX2 P34913 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
POLB P06746 2/20 0.43
HTR3A P46098 1/20 0.43
MAPK8 P45983 1/20 0.43
KDM4E B2RXH2 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
SCHEMBL29411512 1.00 LMNA (0.57) LMNAHPGDSMN1; SMN2NPC1RAB9A
SCHEMBL29411657 0.83 HIF1A (0.49) SMN1; SMN2NPC1RAB9AHIF1AALDH1A1
SCHEMBL21045331 0.83 HIF1A (0.49) SMN1; SMN2NPC1RAB9AHIF1AALDH1A1
SCHEMBL21045141 0.82 EPHX2 (0.53) SMN1; SMN2NPC1RAB9AHIF1AALDH1A1
SCHEMBL29411581 0.82 EPHX2 (0.53) SMN1; SMN2NPC1RAB9AHIF1AALDH1A1
SCHEMBL21045490 0.82 SMN1; SMN2 (0.46) HPGDSMN1; SMN2NPC1RAB9AHIF1A
SCHEMBL29411402 0.82 SMN1; SMN2 (0.46) HPGDSMN1; SMN2NPC1RAB9AHIF1A
SCHEMBL21045178 0.81 KDM4E (0.55) NPC1RAB9AHIF1AALDH1A1MAPT
SCHEMBL21045215 0.81 TAS1R3 (0.52) SMN1; SMN2NPC1RAB9AHIF1AALDH1A1
SCHEMBL29411397 0.81 TAS1R3 (0.52) SMN1; SMN2NPC1RAB9AHIF1AALDH1A1

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 2547/4885HPGD 3869/4885SMN1; SMN2 1062/4885
US-11040945-B2 Tubulin inhibitors TUBB3, TUBB1, TUBB LMNA 2547/4885HPGD 3869/4885SMN1; SMN2 1062/4885
US-20190169127-A1 TUBULIN INHIBITORS TUBB3, TUBB1, TUBB LMNA 2547/4885HPGD 3869/4885SMN1; SMN2 1062/4885

“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.