SCHEMBL16509700

SCHEMBL16509700

CCCc1nc2cc(C(=O)NCCOC)ccc2n1CC

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.59
▸ PTGER4 P35408 3/20 0.57
▸ GAA P10253 1/20 0.53
▸ HTT P42858 1/20 0.53
▸ ACSS2 Q9NR19 1/20 0.52
▸ HPGD P15428 3/20 0.52
▸ TDP1 Q9NUW8 1/20 0.52
▸ KMT2A Q03164 1/20 0.52
▸ KDM4E B2RXH2 1/20 0.50
▸ HDAC6 Q9UBN7 1/20 0.50
▸ RAB9A P51151 1/20 0.50
▸ LMNA P02545 2/20 0.49
▸ TP53 P04637 2/20 0.49
▸ ADORA2A P29274 1/20 0.48
▸ RIPK2 O43353 1/20 0.48
▸ CYP1A2 P05177 1/20 0.48
▸ CYP2C9 P11712 1/20 0.48
▸ MAPK1 P28482 1/20 0.48
▸ CYP2C19 P33261 1/20 0.48

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
SCHEMBL1543133 0.91 TSHR (0.57) TSHRPTGER4GAAHTTACSS2
SCHEMBL16495362 0.90 TSHR (0.62) TSHRPTGER4GAAHTTACSS2
SCHEMBL13573045 0.86 TSHR (0.57) TSHRPTGER4GAAHTTACSS2
SCHEMBL16496427 0.82 TSHR (0.57) TSHRPTGER4GAAHTTACSS2
SCHEMBL22382554 0.74 HPGD (0.55) PTGER4ACSS2HPGDTDP1KMT2A
SCHEMBL2244855 0.74 KMT2A (0.50) PTGER4GAAHTTACSS2HPGD
SCHEMBL29602702 0.74 KMT2A (0.50) PTGER4GAAHTTACSS2HPGD
SCHEMBL24688398 0.73 KDM4E (0.74) TSHRPTGER4HTTACSS2HPGD
SCHEMBL1468359 0.73 ADORA2A (0.66) PTGER4GAAACSS2HPGDTDP1
SCHEMBL15774434 0.73 PTGER4 (1.00) PTGER4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110306597-A1 Nicotinamide Derivatives CRAWFORTH JAMES MICHAEL (GB) 2011-12-15 — — 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-20110306597-A1 Nicotinamide Derivatives NNT, NAMPT, NQO1 TSHR 3631/4885PTGER4 722/4885GAA 887/4885

“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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