SCHEMBL21045387

SCHEMBL21045387

Cc1cc(C(=O)NCCCc2ccc(-c3ccccc3F)cc2)nn1C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
HIF1A Q16665 1/20 0.46
HDAC6 Q9UBN7 2/20 0.45
TP53 P04637 1/20 0.44
CNR1 P21554 2/20 0.44
FAAH O00519 2/20 0.43
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
CYP3A4 P08684 1/20 0.43
TSHR P16473 1/20 0.43
MAPKAPK2 P49137 1/20 0.43
KMT2A Q03164 1/20 0.43
PPARG P37231 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
CNR2 P34972 1/20 0.42
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC7 Q8WUI4 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
SCHEMBL29411623 1.00 MAPT (0.47) MAPTSMN1; SMN2HIF1AHDAC6TP53
SCHEMBL29411543 0.84 MAPT (0.47) MAPTSMN1; SMN2HIF1AHDAC6TP53
SCHEMBL21045124 0.84 MAPT (0.47) MAPTSMN1; SMN2HIF1AHDAC6TP53
SCHEMBL21045149 0.81 LMNA (0.56) MAPTSMN1; SMN2HIF1ATP53CNR1
SCHEMBL29411461 0.81 LMNA (0.56) MAPTSMN1; SMN2HIF1ATP53CNR1
SCHEMBL21045273 0.80 HIF1A (0.49) MAPTSMN1; SMN2HIF1ACNR1FAAH
SCHEMBL29411386 0.80 HIF1A (0.49) MAPTSMN1; SMN2HIF1ACNR1FAAH
SCHEMBL21045490 0.80 SMN1; SMN2 (0.46) MAPTSMN1; SMN2HIF1AMEN1ALDH1A1
SCHEMBL29411402 0.80 SMN1; SMN2 (0.46) MAPTSMN1; SMN2HIF1AMEN1ALDH1A1
SCHEMBL21045463 0.80 GRIA4 (0.44) MAPTSMN1; SMN2HIF1AHDAC6TP53

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 MAPT 24/4885SMN1; SMN2 1062/4885HIF1A 3747/4885
US-11040945-B2 Tubulin inhibitors TUBB3, TUBB1, TUBB MAPT 24/4885SMN1; SMN2 1062/4885HIF1A 3747/4885
US-20190169127-A1 TUBULIN INHIBITORS TUBB3, TUBB1, TUBB MAPT 24/4885SMN1; SMN2 1062/4885HIF1A 3747/4885

“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.