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SCHEMBL979640

SCHEMBL979640

CCNC(=O)Nc1cccc(C#Cc2c(C#N)c3ccc(OC)cc3n2CC)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MTNR1B P49286 1/20 0.44
▸ KDM4E B2RXH2 4/20 0.42
▸ ALDH1A1 P00352 4/20 0.42
▸ SMN1; SMN2 Q16637 4/20 0.42
▸ HPGD P15428 3/20 0.42
▸ GAA P10253 1/20 0.42
▸ MAPT P10636 6/20 0.42
▸ MCHR1 Q99705 1/20 0.42
▸ MEN1 O00255 4/20 0.41
▸ KMT2A Q03164 4/20 0.41
▸ LMNA P02545 2/20 0.41
▸ NPC1 O15118 2/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ HCRTR1 O43613 1/20 0.39
▸ RORC P51449 1/20 0.38
▸ TP53 P04637 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ PKM P14618 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ NTRK1 P04629 1/20 0.37

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
SCHEMBL10095441 0.92 MAPT (0.44) KDM4EALDH1A1SMN1; SMN2HPGDGAA
SCHEMBL10095427 0.90 MCHR1 (0.43) MTNR1BKDM4EALDH1A1SMN1; SMN2HPGD
SCHEMBL10095405 0.90 MCHR1 (0.47) MTNR1BKDM4EALDH1A1SMN1; SMN2HPGD
SCHEMBL10095423 0.88 MCHR1 (0.46) MTNR1BKDM4EALDH1A1SMN1; SMN2HPGD
SCHEMBL10095408 0.88 MCHR1 (0.42) KDM4EALDH1A1SMN1; SMN2HPGDGAA
SCHEMBL10095428 0.88 ALDH1A1 (0.43) MTNR1BKDM4EALDH1A1SMN1; SMN2HPGD
SCHEMBL10252481 0.88 MTNR1B (0.45) MTNR1BKDM4EALDH1A1SMN1; SMN2HPGD
SCHEMBL10095416 0.86 HCRTR1 (0.43) MTNR1BKDM4EALDH1A1SMN1; SMN2HPGD
SCHEMBL10095429 0.85 HCRTR1 (0.44) MTNR1BKDM4EALDH1A1SMN1; SMN2HPGD
SCHEMBL10095419 0.85 KDM4E (0.40) KDM4EALDH1A1SMN1; SMN2HPGDGAA

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 37 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8927576-B2 HCV inhibitor and therapeutic agent combinations PTC Therpeutics, Inc. (US) 2015-01-06 — — US disclosed
US-8927576-B2 HCV inhibitor and therapeutic agent combinations PTC Therpeutics, Inc. (US) 2015-01-06 — — US disclosed
US-20120027721-A1 HCV Inhibitor and Therapeutic Agent Combinations PTC THERAPEUTICS, INC. (US) 2012-02-02 — — US disclosed
US-20120009142-A1 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2012-01-12 — — US disclosed
US-20120009142-A1 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2012-01-12 — — US disclosed
US-20110268698-A1 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2011-11-03 — — US disclosed
US-20110268698-A1 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2011-11-03 — — US disclosed
US-8013006-B2 Methods for treating hepatitis C PTC THERAPEUTICS, INC. (US) 2011-09-06 — — US disclosed
US-8013006-B2 Methods for treating hepatitis C PTC THERAPEUTICS, INC. (US) 2011-09-06 — — US disclosed
US-7973069-B2 Methods for treating hepatitis C PTC THERAPEUTICS, INC. (US) 2011-07-05 — — US disclosed
US-20070299069-A1 Methods for treating hepatitis C PTC THERAPEUTICS, INC. 2007-12-27 — — US disclosed
US-20070299069-A1 Methods for treating hepatitis C PTC THERAPEUTICS, INC. 2007-12-27 — — US disclosed
US-20070299068-A1 Methods for treating hepatitis C PTC THERAPEUTICS, INC. 2007-12-27 — — US disclosed
US-20070299068-A1 Methods for treating hepatitis C PTC THERAPEUTICS, INC. 2007-12-27 — — US disclosed
WO-2007084413-A2 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2007-07-26 — — WO disclosed
WO-2007084435-A2 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2007-07-26 — — WO disclosed
EP-1771169-A1 METHODS FOR TREATING HEPATITIS C PTC Therapeutics, Inc. (US) 2007-04-11 — — EP disclosed
US-20060223863-A1 Methods for treating Hepatitis C KARP GARY M 2006-10-05 — — US disclosed
US-20060189606-A1 Methods for treating hepatitis C PTC THERAPEUTICS, INC. 2006-08-24 — — US disclosed
WO-2006019831-A1 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2006-02-23 — — WO 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 (7 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-20070299068-A1 Methods for treating hepatitis C HAVCR2, EIF2AK2, MAVS MTNR1B 2599/4885KDM4E 4020/4885ALDH1A1 1497/4885
US-20110268698-A1 METHODS FOR TREATING HEPATITIS C HAVCR2, LIPC, HCCS MTNR1B 1364/4885KDM4E 3422/4885ALDH1A1 563/4885
US-20120009142-A1 METHODS FOR TREATING HEPATITIS C OAT, HAVCR2, HCCS MTNR1B 489/4885KDM4E 3703/4885ALDH1A1 591/4885
US-20060189606-A1 Methods for treating hepatitis C HAVCR2, EIF2AK2, MAVS MTNR1B 2599/4885KDM4E 4020/4885ALDH1A1 1497/4885
US-20070299069-A1 Methods for treating hepatitis C HAVCR2, EIF2AK2, MAVS MTNR1B 2599/4885KDM4E 4020/4885ALDH1A1 1497/4885
US-20060223863-A1 Methods for treating Hepatitis C OAT, HAVCR2, HCCS MTNR1B 489/4885KDM4E 3703/4885ALDH1A1 591/4885
US-20120027721-A1 HCV Inhibitor and Therapeutic Agent Combinations HAVCR2, SERPINB1, ENPEP MTNR1B 827/4885KDM4E 4208/4885ALDH1A1 1067/4885

“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.