SCHEMBL3428009

SCHEMBL3428009

NC(=S)Nc1ccc(N2CCC(c3ccccc3)CC2)c(F)c1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
IDO1 P14902 1/20 0.46
NPC1 O15118 5/20 0.45
RAB9A P51151 4/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
NPY2R P49146 6/20 0.43
CYP2C9 P11712 1/20 0.43
PKM P14618 1/20 0.43
CYP2C19 P33261 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
LMNA P02545 1/20 0.41
MTTP P55157 2/20 0.41
KDM4E B2RXH2 1/20 0.40
DHFR P00374 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
SCHEMBL4339051 0.78 MAOB (0.47) RAB9ALMNAKDM4E
SCHEMBL4339056 0.78 MAOB (0.47) RAB9ALMNAKDM4E
SCHEMBL2869968 0.78 CRACR2A (0.49) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL240711 0.77 ALDH1A1 (0.64) MAPTLMNADHFR
SCHEMBL8272499 0.76 NPY2R (0.47) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL3425880 0.75 ALDH1A1 (0.46) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL27660601 0.74 MAPT (0.41) MAPTMEN1KMT2AIDO1NPC1
SCHEMBL3426220 0.71 MAPT (0.43) MAPTMEN1KMT2ANPC1SMN1; SMN2
SCHEMBL4329124 0.70 MAOB (0.44) MAPTMEN1KMT2AL3MBTL1KDM4E
SCHEMBL4322348 0.70 MAOB (0.44) MAPTMEN1KMT2AL3MBTL1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7718671-B2 Substituted arylthiourea derivatives useful as inhibitors of viral replication ACHILLION PHARMACEUTICALS, INC. (US) 2010-05-18 US claimed
CN-1849301-A Substituted arylthiourea derivatives useful as inhibitors of viral replication ACHILLION PHARMACEUTICALS INC (US) 2006-10-18 CN claimed
EP-1648862-A2 SUBSTITUTED ARYLTHIOUREA DERIVATIVES USEFUL AS INHIBITORS OF VIRAL REPLICATION Achillion Pharmaceuticals, Inc. (US) 2006-04-26 EP claimed
US-20050032849-A1 Substituted arylthiourea derivatives useful as inhibitors of viral replication ACHILLION PHARMACEUTICALS, INC. 2005-02-10 US claimed
WO-2005007601-A2 SUBSTITUTED ARYLTHIOUREA DERIVATIVES USEFUL AS INHIBITORS OF VIRAL REPLICATION ACHILLION PHARMACEUTICALS, INC. (US) 2005-01-27 WO claimed
US-7718671-B2 Substituted arylthiourea derivatives useful as inhibitors of viral replication ACHILLION PHARMACEUTICALS, INC. (US) 2010-05-18 US disclosed
US-7718671-B2 Substituted arylthiourea derivatives useful as inhibitors of viral replication ACHILLION PHARMACEUTICALS, INC. (US) 2010-05-18 US disclosed
US-7718671-B2 Substituted arylthiourea derivatives useful as inhibitors of viral replication ACHILLION PHARMACEUTICALS, INC. (US) 2010-05-18 US disclosed
US-20050032849-A1 Substituted arylthiourea derivatives useful as inhibitors of viral replication ACHILLION PHARMACEUTICALS, INC. 2005-02-10 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-20050032849-A1 Substituted arylthiourea derivatives useful as inhibitors of viral replication TPMT, NAT1, GOT1 MAPT 1972/4885MEN1 4515/4885KMT2A 2854/4885

“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.