SCHEMBL17147447

SCHEMBL17147447

CCOC(=O)c1cc(Cl)nc2nn(Cc3ccc(Oc4ccccc4)cc3)c(C)c12

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.46
▸ MAPT P10636 1/20 0.43
▸ SMN1; SMN2 Q16637 4/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ POLB P06746 2/20 0.43
▸ KDM4E B2RXH2 3/20 0.41
▸ ALDH1A1 P00352 3/20 0.41
▸ HPGD P15428 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ TDP1 Q9NUW8 2/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ GPR55 Q9Y2T6 1/20 0.41
▸ L3MBTL1 Q9Y468 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
SCHEMBL17147449 0.91 TSHR (0.47) TSHRMAPTSMN1; SMN2KMT2APOLB
SCHEMBL17147473 0.88 TSHR (0.46) TSHRMAPTSMN1; SMN2KMT2APOLB
SCHEMBL17147468 0.86 TDP1 (0.53) MAPTSMN1; SMN2KMT2APOLBKDM4E
SCHEMBL17147445 0.86 TSHR (0.42) TSHRMAPTSMN1; SMN2KMT2APOLB
SCHEMBL17147490 0.85 TSHR (0.41) TSHRMAPTSMN1; SMN2KMT2APOLB
SCHEMBL17149311 0.85 RXFP1 (0.55) MAPTSMN1; SMN2KMT2APOLBKDM4E
SCHEMBL17137814 0.84 KDM4E (0.47) SMN1; SMN2KMT2AKDM4EALDH1A1HPGD
SCHEMBL17147508 0.82 TDP1 (0.46) KMT2AALDH1A1TDP1L3MBTL1
SCHEMBL17147459 0.81 HRH3 (0.40) —
SCHEMBL17147424 0.81 POLB (0.43) POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3125884-B1 SMALL MOLECULE INHIBITORS OF MCL-1 AND USES THEREOF UNIV MICHIGAN REGENTS (US) 2019-11-06 — — EP disclosed
US-9394303-B2 Small molecule inhibitors of MCL-1 and uses thereof THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2016-07-19 — — US disclosed
US-9394303-B2 Small molecule inhibitors of MCL-1 and uses thereof THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2016-07-19 — — US disclosed
US-20150284387-A1 SMALL MOLECULE INHIBITORS OF MCL-1 AND USES THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-10-08 — — US disclosed
US-20150284387-A1 SMALL MOLECULE INHIBITORS OF MCL-1 AND USES THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-10-08 — — 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 (1 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-20150284387-A1 SMALL MOLECULE INHIBITORS OF MCL-1 AND USES THEREOF MCL1, BCL2L1, API5 TSHR 4647/4885MAPT 2998/4885SMN1; SMN2 3191/4885

“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.

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