SCHEMBL19007004

SCHEMBL19007004

CCc1c[nH]c2c(C(C)C)cccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SOS2 Q07890 1/20 0.46
▸ GPR84 Q9NQS5 1/20 0.42
▸ HTT P42858 3/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ LMNA P02545 2/20 0.42
▸ HTR2A P28223 3/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ MAPT P10636 2/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ PIM1 P11309 1/20 0.39
▸ PIM3 Q86V86 1/20 0.39
▸ MPO P05164 1/20 0.39
▸ SLC6A4 P31645 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ PARP14 Q460N5 1/20 0.39
▸ NR3C1 P04150 1/20 0.38
▸ HAT1 O14929 1/20 0.38

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
SCHEMBL4808998 0.82 HTR2A (0.45) SOS2HTTHTR2ASMN1; SMN2MAPT
SCHEMBL23656514 0.81 HTT (0.54) HTTSMN1; SMN2MAPTMPOHPGD
SCHEMBL22876029 0.80 KDM4E (0.45) SOS2HTTALDH1A1LMNASMN1; SMN2
SCHEMBL14667559 0.80 ALDH1A1 (0.60) SOS2GPR84HTTALDH1A1LMNA
SCHEMBL18999655 0.80 PARP14 (0.50) SOS2GPR84LMNAHTR2AHPGD
SCHEMBL14667574 0.79 ALDH1A1 (0.53) SOS2HTTALDH1A1LMNAMAPT
SCHEMBL21644786 0.78 MAPT (0.59) SOS2HTTALDH1A1LMNAHTR2A
SCHEMBL21644785 0.78 MAPT (0.59) SOS2HTTALDH1A1LMNAHTR2A
SCHEMBL22876027 0.77 MAPT (0.42) SOS2HTTALDH1A1LMNAHTR2A
Hydrochloric Acid SCHEMBL21644797 0.77 MAPT (0.58) SOS2HTTALDH1A1LMNAHTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3122353-B1 SUBSTITUTED INDOLE MCL-1 INHIBITORS UNIV VANDERBILT (US) 2020-10-28 — — EP disclosed
US-20170174689-A1 SUBSTITUTED INDOLE MCL-1 INHIBITORS VANDERBILT UNIVERSITY 2017-06-22 — — 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-20170174689-A1 SUBSTITUTED INDOLE MCL-1 INHIBITORS MCL1, BCL2L1, BCL3 SOS2 780/4885GPR84 2685/4885HTT 1155/4885

“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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