SCHEMBL21045273

SCHEMBL21045273

Cn1cnc(C(=O)NCCCc2ccc(-c3ccccc3F)cc2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 2/20 0.49
KCNA3 P22001 1/20 0.48
CNR1 P21554 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
ALDH1A1 P00352 2/20 0.43
MAPT P10636 2/20 0.43
TSHR P16473 2/20 0.43
MEN1 O00255 1/20 0.43
CYP3A4 P08684 1/20 0.43
MAPKAPK2 P49137 1/20 0.43
KMT2A Q03164 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
FAAH O00519 2/20 0.42
GRIA4 P48058 1/20 0.42
GRM2 Q14416 1/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
HTR3A P46098 1/20 0.40
ASAH1 Q13510 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL29411386 1.00 HIF1A (0.49) HIF1AKCNA3CNR1SMN1; SMN2ALDH1A1
SCHEMBL21100380 0.84 TP53 (0.48) SMN1; SMN2ALDH1A1MEN1KMT2ANPC1
SCHEMBL29411623 0.80 MAPT (0.47) HIF1ACNR1SMN1; SMN2ALDH1A1MAPT
SCHEMBL21045387 0.80 MAPT (0.47) HIF1ACNR1SMN1; SMN2ALDH1A1MAPT
SCHEMBL21045247 0.80 LMNA (0.57) HIF1ASMN1; SMN2ALDH1A1MAPTTSHR
SCHEMBL29411512 0.80 LMNA (0.57) HIF1ASMN1; SMN2ALDH1A1MAPTTSHR
SCHEMBL29411402 0.79 SMN1; SMN2 (0.46) HIF1ASMN1; SMN2ALDH1A1MAPTTSHR
SCHEMBL21045490 0.79 SMN1; SMN2 (0.46) HIF1ASMN1; SMN2ALDH1A1MAPTTSHR
SCHEMBL21045390 0.79 HIF1A (0.44) HIF1ACNR1SMN1; SMN2ALDH1A1MAPT
SCHEMBL29411647 0.79 HIF1A (0.44) HIF1ACNR1SMN1; SMN2ALDH1A1MAPT

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 HIF1A 3747/4885KCNA3 3849/4885CNR1 4572/4885
US-11040945-B2 Tubulin inhibitors TUBB3, TUBB1, TUBB HIF1A 3747/4885KCNA3 3849/4885CNR1 4572/4885
US-20190169127-A1 TUBULIN INHIBITORS TUBB3, TUBB1, TUBB HIF1A 3747/4885KCNA3 3849/4885CNR1 4572/4885

“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.