SCHEMBL20620238

SCHEMBL20620238

COc1cc(F)c(NC(C)(C)C)cc1F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TUBB1 Q9H4B7 2/20 0.34
▸ MAPT P10636 2/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ MAPK1 P28482 2/20 0.33
▸ LMNA P02545 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ HTR2A P28223 1/20 0.33
▸ HTR2C P28335 1/20 0.33
▸ HTR2B P41595 1/20 0.33
▸ NR1I2 O75469 1/20 0.32
▸ PTGES2 Q9H7Z7 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ MTNR1A P48039 1/20 0.32

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
SCHEMBL12403861 0.79 LATS1 (0.34) —
SCHEMBL2937347 0.76 LMNA (0.46) TUBB1MAPTMAPK1LMNAHTT
SCHEMBL20620239 0.73 PGK1 (0.42) TUBB1
SCHEMBL12403870 0.72 RAB9A (0.42) MAPTALDH1A1MAPK1LMNAHTT
SCHEMBL12403868 0.72 TUBB1 (0.44) TUBB1MAPK1LMNAHTTRAB9A
SCHEMBL14432013 0.72 GRM4 (0.44) ALDH1A1LMNACYP1A2CYP2C19
SCHEMBL21966922 0.72 MAPT (0.40) MAPTALDH1A1LMNAHTTGAA
SCHEMBL16173475 0.71 CYP3A4 (0.43) TUBB1MAPTALDH1A1MAPK1LMNA
SCHEMBL2001415 0.71 LMNA (0.43) TUBB1MAPTMAPK1LMNAHTT
SCHEMBL29025170 0.71 MAPK1 (0.41) MAPTALDH1A1MAPK1LMNAHTT

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-10689331-B2 IDO inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2020-06-23 — — US disclosed
US-20190002402-A1 IDO INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2019-01-03 — — 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 (2 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-20190002402-A1 IDO INHIBITORS IDO1, IDO2, INMT TUBB1 3174/4885MAPT 1988/4885ALDH1A1 707/4885
US-10689331-B2 IDO inhibitors IDO1, IDO2, INMT TUBB1 3174/4885MAPT 1988/4885ALDH1A1 707/4885

“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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