SCHEMBL19318499

SCHEMBL19318499

COc1ccncc1CNC(=O)C(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 3/20 0.48
▸ KMT2A Q03164 2/20 0.44
▸ LMNA P02545 1/20 0.43
▸ SLC6A2 P23975 1/20 0.42
▸ SLC6A4 P31645 1/20 0.42
▸ CA12 O43570 1/20 0.41
▸ CA1 P00915 1/20 0.41
▸ CA2 P00918 1/20 0.41
▸ CA9 Q16790 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ HPGD P15428 1/20 0.40
▸ ROCK2 O75116 3/20 0.40
▸ ROCK1 Q13464 2/20 0.40
▸ TAS1R3 Q7RTX0 1/20 0.40
▸ TAS1R1 Q7RTX1 1/20 0.40
▸ USP2 O75604 2/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40

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
SCHEMBL18997723 0.86 ALDH1A1 (0.51) POLBKMT2AMEN1ALDH1A1
SCHEMBL30421834 0.84 POLB (0.51) POLBKMT2ALMNASLC6A2SLC6A4
SCHEMBL19151037 0.81 LMNA (0.49) POLBKMT2ALMNAMEN1HPGD
SCHEMBL25587537 0.81 SOST (0.51) CA1CA2CYP2C9ALDH1A1KDM4C
SCHEMBL14667212 0.79 KMT2A (0.65) KMT2AMEN1HPGDALDH1A1NPSR1
SCHEMBL19116582 0.78 HPGD (0.67) POLBKMT2ALMNASLC6A2SLC6A4
SCHEMBL25591488 0.78 MAPT (0.47) CA1CA2CYP2C9ALDH1A1KDM4C
SCHEMBL19318501 0.77 CA1 (0.41) KMT2ALMNACA12CA1CA2
SCHEMBL9949489 0.75 SLC6A2 (0.65) POLBKMT2ASLC6A2SLC6A4CA12
SCHEMBL27220646 0.74 PPARG (0.56) HPGDROCK2ROCK1

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 POLB 2951/4885KMT2A 4575/4885LMNA 2690/4885

“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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