SCHEMBL21045402

SCHEMBL21045402

Cc1ncccc1C(=O)NCCCc1ccc(-c2ccc3[nH]ccc3c2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4B O94953 1/20 0.46
PDPK1 O15530 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.42
CYP17A1 P05093 1/20 0.42
CYP11B1 P15538 1/20 0.42
CYP11B2 P19099 1/20 0.42
HPGD P15428 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
ROCK2 O75116 1/20 0.41
ROCK1 Q13464 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
P2RX7 Q99572 1/20 0.41
ENPP2 Q13822 1/20 0.41
NAMPT P43490 2/20 0.41
EGLN1 Q9GZT9 1/20 0.40
PTGS2 P35354 1/20 0.40
PTAFR P25105 2/20 0.40
FLT3 P36888 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
SCHEMBL29411607 1.00 KDM4B (0.46) KDM4BPDPK1SMN1; SMN2CYP17A1CYP11B1
SCHEMBL21045126 0.88 FLT3 (0.54) FLT3
SCHEMBL21045077 0.87 POLB (0.43) KDM4BSMN1; SMN2HPGDNPC1RAB9A
SCHEMBL29411659 0.86 ROCK2 (0.49) KDM4BSMN1; SMN2HPGDNPC1RAB9A
SCHEMBL21045196 0.86 ROCK2 (0.49) KDM4BSMN1; SMN2HPGDNPC1RAB9A
SCHEMBL21045426 0.82 KDM4E (0.51) KDM4BHDAC1HDAC8NAMPTPTAFR
SCHEMBL29411466 0.82 KDM4E (0.51) KDM4BHDAC1HDAC8NAMPTPTAFR
SCHEMBL21100619 0.80 SMN1; SMN2 (0.48) KDM4BSMN1; SMN2HPGDNPC1RAB9A
SCHEMBL21045197 0.79 SMN1; SMN2 (0.41) KDM4BSMN1; SMN2HPGDNPC1RAB9A
SCHEMBL21045460 0.79 HDAC1 (0.41) KDM4BSMN1; SMN2CYP17A1CYP11B1CYP11B2

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 KDM4B 3964/4885PDPK1 850/4885SMN1; SMN2 1062/4885
US-11040945-B2 Tubulin inhibitors TUBB3, TUBB1, TUBB KDM4B 3964/4885PDPK1 850/4885SMN1; SMN2 1062/4885
US-20190169127-A1 TUBULIN INHIBITORS TUBB3, TUBB1, TUBB KDM4B 3964/4885PDPK1 850/4885SMN1; 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.