SCHEMBL20178503

SCHEMBL20178503

CC(C)Cc1ccc2[nH]c(C(C)C)nc2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.53
HSD17B10 Q99714 2/20 0.53
KDM4E B2RXH2 2/20 0.53
ALDH1A1 P00352 3/20 0.44
ALOX15 P16050 1/20 0.44
TAAR1 Q96RJ0 1/20 0.41
KMT2A Q03164 3/20 0.39
MAPT P10636 3/20 0.39
HTT P42858 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
ALPL P05186 3/20 0.39
ALPI P09923 2/20 0.39
ALPG P10696 2/20 0.39
MAPK1 P28482 2/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
MEN1 O00255 1/20 0.38
TP53 P04637 1/20 0.38
CYP3A4 P08684 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
SCHEMBL13034836 0.87 ALDH1A1 (0.59) LMNAHSD17B10KDM4EALDH1A1ALOX15
SCHEMBL3268547 0.85 HSD17B10 (0.54) LMNAHSD17B10KDM4EALDH1A1ALOX15
SCHEMBL12545719 0.84 HSD17B10 (0.53) LMNAHSD17B10KDM4EALDH1A1ALOX15
SCHEMBL5029652 0.84 HSD17B10 (0.53) LMNAHSD17B10KDM4EALDH1A1ALOX15
Hydrochloric Acid SCHEMBL11374515 0.83 HSD17B10 (0.51) LMNAHSD17B10KDM4EALDH1A1ALOX15
SCHEMBL18656067 0.82 MAPT (0.55) LMNAKDM4EALDH1A1KMT2AMAPT
SCHEMBL23800775 0.81 XDH (0.50) KDM4EALDH1A1ALOX15TAAR1KMT2A
SCHEMBL23718641 0.81 KDM4E (0.43) LMNAHSD17B10KDM4EALDH1A1ALOX15
SCHEMBL9296249 0.79 SLC2A1 (0.46) HSD17B10KDM4EALDH1A1KMT2AMAPT
SCHEMBL21676250 0.78 CYP1A2 (0.51) LMNAHSD17B10KDM4EALDH1A1ALOX15

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-11732005-B2 Peptidomimetic proteasome inhibitors CORNELL UNIVERSITY (US) 2023-08-22 US disclosed
US-20220056073-A1 PEPTIDOMIMETIC PROTEASOME INHIBITORS UNIV CORNELL (US) 2022-02-24 US disclosed
US-11203613-B2 Peptidomimetic proteasome inhibitors CORNELL UNIVERSITY 2021-12-21 US disclosed
US-20200317729-A1 PEPTIDOMIMETIC PROTEASOME INHIBITORS CORNELL UNIVERSITY 2020-10-08 US disclosed
US-10597391-B2 Urea-containing isoxazole derivatives as FXR agonists and methods of use thereof ENANTA PHARMACEUTICALS, INC. (US) 2020-03-24 US disclosed
US-20180141941-A1 UREA-CONTAINING ISOXAZOLE DERIVATIVES AS FXR AGONISTS AND METHODS OF USE THEREOF ENANTA PHARMACEUTICALS, INC. 2018-05-24 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 (6 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-20200317729-A1 PEPTIDOMIMETIC PROTEASOME INHIBITORS PSMB1, PSMB3, PSMB11 LMNA 3672/4885HSD17B10 4401/4885KDM4E 1197/4885
US-20220056073-A1 PEPTIDOMIMETIC PROTEASOME INHIBITORS PSMB1, PSMB3, PSMB11 LMNA 3663/4885HSD17B10 4404/4885KDM4E 1196/4885
US-11203613-B2 Peptidomimetic proteasome inhibitors PSMB1, PSMB3, PSMB11 LMNA 3672/4885HSD17B10 4401/4885KDM4E 1197/4885
US-11732005-B2 Peptidomimetic proteasome inhibitors PSMB1, PSMB3, PSMB11 LMNA 3663/4885HSD17B10 4404/4885KDM4E 1196/4885
US-20180141941-A1 UREA-CONTAINING ISOXAZOLE DERIVATIVES AS FXR AGONISTS AND METHODS OF USE THEREOF NR1H4, FXR1, SLC10A1 LMNA 4211/4885HSD17B10 836/4885KDM4E 4005/4885
US-10597391-B2 Urea-containing isoxazole derivatives as FXR agonists and methods of use thereof NR1H4, FXR1, SLC10A1 LMNA 4211/4885HSD17B10 836/4885KDM4E 4005/4885

“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.