SCHEMBL21045533

SCHEMBL21045533

O=C(NCCCc1ccc(-c2ccccc2F)cc1)c1c[nH]c2ccncc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.52
CDK4 P11802 4/20 0.46
CCND1 P24385 4/20 0.46
HAT1 O14929 1/20 0.45
EP300 Q09472 1/20 0.45
ALDH1A1 P00352 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
POLB P06746 1/20 0.44
ROCK1 Q13464 2/20 0.44
PDE10A Q9Y233 1/20 0.42
EPHX2 P34913 1/20 0.42
RAB9A P51151 1/20 0.41
HDAC1 Q13547 2/20 0.41
HDAC2 Q92769 2/20 0.41
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 1/20 0.41

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
SCHEMBL29411453 1.00 NAMPT (0.52) NAMPTCDK4CCND1HAT1EP300
SCHEMBL29411393 0.88 POLB (0.56) CDK4CCND1HAT1EP300POLB
SCHEMBL21045375 0.88 POLB (0.56) CDK4CCND1HAT1EP300POLB
SCHEMBL21045228 0.78 ROCK2 (0.51) NAMPTALDH1A1SMN1; SMN2POLBROCK1
SCHEMBL29411521 0.78 ROCK2 (0.51) NAMPTALDH1A1SMN1; SMN2POLBROCK1
SCHEMBL21045242 0.78 EPHX2 (0.70) NAMPTSMN1; SMN2EPHX2RAB9AMEN1
SCHEMBL29411585 0.78 EPHX2 (0.70) NAMPTSMN1; SMN2EPHX2RAB9AMEN1
SCHEMBL21045096 0.77 HIF1A (0.54) ALDH1A1SMN1; SMN2EPHX2RAB9AHDAC1
SCHEMBL29411508 0.77 HIF1A (0.54) ALDH1A1SMN1; SMN2EPHX2RAB9AHDAC1
SCHEMBL21045141 0.75 EPHX2 (0.53) NAMPTALDH1A1SMN1; SMN2POLBEPHX2

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 6 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-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 NAMPT 778/4885CDK4 482/4885CCND1 3057/4885
US-11040945-B2 Tubulin inhibitors TUBB3, TUBB1, TUBB NAMPT 778/4885CDK4 482/4885CCND1 3057/4885
US-20190169127-A1 TUBULIN INHIBITORS TUBB3, TUBB1, TUBB NAMPT 778/4885CDK4 482/4885CCND1 3057/4885

“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.