SCHEMBL29411434

SCHEMBL29411434

Cn1ncc2cc(-c3ccc(CCCNC(=O)c4cnc5ccccc5n4)cc3)ccc21

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.53
RAB9A P51151 1/20 0.53
CNR1 P21554 1/20 0.49
HTR1A P08908 10/20 0.46
FAAH O00519 1/20 0.42
HDAC3 O15379 1/20 0.42
HDAC1 Q13547 1/20 0.42
DRD2 P14416 1/20 0.42
DRD3 P35462 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
SCHEMBL21045452 1.00 NPC1 (0.53) NPC1RAB9ACNR1HTR1AFAAH
SCHEMBL21045480 0.84 CCNC (0.45) CNR1FAAH
SCHEMBL21045217 0.81 LMNA (0.51) NPC1RAB9ACNR1FAAH
SCHEMBL21045167 0.80 WNT1 (0.44)
SCHEMBL29411489 0.80 VNN1 (0.46)
SCHEMBL21045172 0.80 VNN1 (0.46)
SCHEMBL21045197 0.80 SMN1; SMN2 (0.41) NPC1RAB9ACNR1
SCHEMBL21045501 0.79 KDM4E (0.50)
SCHEMBL21045388 0.79 DYRK1A (0.40) NPC1RAB9ACNR1FAAH
SCHEMBL21045409 0.78 CACNA1H (0.43) CNR1HDAC3HDAC1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250188035-A1 TUBULIN INHIBITORS LIN BIOSCIENCE LLC (US) 2025-06-12 US disclosed
US-12247010-B2 Tubulin inhibitors LIN BIOSCIENCE INC. (TW) 2025-03-11 US disclosed
US-20220089539-A1 TUBULIN INHIBITORS LIN BIOSCIENCE INC. (TW) 2022-03-24 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 NPC1 421/4885RAB9A 959/4885CNR1 4572/4885
US-12247010-B2 Tubulin inhibitors TUBB3, TUBB1, TUBB NPC1 421/4885RAB9A 959/4885CNR1 4572/4885
US-20250188035-A1 TUBULIN INHIBITORS TUBB3, TUBB1, TUBB NPC1 421/4885RAB9A 959/4885CNR1 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.