SCHEMBL19318591

SCHEMBL19318591

C[C@@H](NC(=O)C(C)(C)C)c1cccnc1F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.43
ALDH1A1 P00352 4/20 0.43
MAPT P10636 2/20 0.43
LMNA P02545 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
HPGD P15428 1/20 0.41
CYP2C19 P33261 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
NAPRT Q6XQN6 1/20 0.39
ADORA2A P29274 2/20 0.38
ADORA1 P30542 2/20 0.38
TRPM8 Q7Z2W7 1/20 0.36
KDM4E B2RXH2 2/20 0.36
MAPK1 P28482 2/20 0.36
MEN1 O00255 1/20 0.36

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
SCHEMBL19318485 1.00 L3MBTL1 (0.43) L3MBTL1ALDH1A1MAPTLMNACYP1A2
SCHEMBL19318590 1.00 L3MBTL1 (0.43) L3MBTL1ALDH1A1MAPTLMNACYP1A2
SCHEMBL19322922 0.83 L3MBTL1 (0.59) L3MBTL1ALDH1A1MAPTLMNAHTT
SCHEMBL19323071 0.83 L3MBTL1 (0.59) L3MBTL1ALDH1A1MAPTLMNAHTT
SCHEMBL19324095 0.82 L3MBTL1 (0.45) L3MBTL1ALDH1A1MAPTLMNAHTT
SCHEMBL19323070 0.79 RAB9A (0.54) L3MBTL1ALDH1A1MAPTLMNAHTT
SCHEMBL19324092 0.79 RAB9A (0.54) L3MBTL1ALDH1A1MAPTLMNAHTT
SCHEMBL19323041 0.79 RAB9A (0.54) L3MBTL1ALDH1A1MAPTLMNAHTT
SCHEMBL19319111 0.78 ALDH1A1 (0.48) ALDH1A1LMNAHTTKDM4EMAPK1
SCHEMBL19319086 0.78 ALDH1A1 (0.48) ALDH1A1LMNAHTTKDM4EMAPK1

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
US-20170253614-A1 HEPATITIS C VIRUS INHIBITORS AND USES THEREOF IN PREPARATION OF DRUGS CHANGZHOU YINSHENG PHARMACEUTICAL CO., LTD. (CN) 2017-09-07 US disclosed
US-20170253614-A1 HEPATITIS C VIRUS INHIBITORS AND USES THEREOF IN PREPARATION OF DRUGS CHANGZHOU YINSHENG PHARMACEUTICAL CO., LTD. (CN) 2017-09-07 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-20170253614-A1 HEPATITIS C VIRUS INHIBITORS AND USES THEREOF IN PREPARATION OF DRUGS HAVCR2, HCCS, LIPC L3MBTL1 4749/4885ALDH1A1 1148/4885MAPT 3166/4885

“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.