SCHEMBL3094889

SCHEMBL3094889

Cc1ccn(-c2ccc(I)cc2)n1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.56
RAB9A P51151 3/20 0.47
MAPT P10636 2/20 0.47
NPC1 O15118 2/20 0.47
ATM Q13315 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
ALDH1A1 P00352 2/20 0.46
KDM4E B2RXH2 1/20 0.46
GAA P10253 1/20 0.46
HDAC4 P56524 1/20 0.42
DDB1 Q16531 1/20 0.40
CRBN Q96SW2 1/20 0.40
TDO2 P48775 1/20 0.40
OXTR P30559 3/20 0.38
AVPR1A P37288 3/20 0.38
AVPR2 P30518 2/20 0.38
POLB P06746 1/20 0.35
KMT2A Q03164 1/20 0.35
NOTUM Q6P988 1/20 0.34

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
SCHEMBL12422701 0.83 HTT (0.59) HTTRAB9AMAPTNPC1ATM
SCHEMBL18725064 0.81 HTT (0.58) HTTRAB9AMAPTNPC1ATM
SCHEMBL597553 0.79 HTT (0.56) HTTRAB9AMAPTNPC1ATM
SCHEMBL2615994 0.79 HTT (0.56) HTTRAB9AMAPTNPC1ATM
SCHEMBL5544146 0.79 HTT (0.56) HTTRAB9AMAPTNPC1ATM
SCHEMBL5539090 0.79 HTT (0.56) HTTRAB9AMAPTNPC1ATM
SCHEMBL1353764 0.79 HTT (0.56) HTTRAB9AMAPTNPC1ATM
SCHEMBL541634 0.78 MAPT (0.55) HTTRAB9AMAPTNPC1ATM
SCHEMBL15984869 0.78 HTT (0.50) HTTRAB9AMAPTNPC1ATM
SCHEMBL1425387 0.77 HTT (0.53) HTTRAB9AMAPTNPC1ATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100234352-A1 FACTOR XA INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. 2010-09-16 US disclosed
US-7696352-B2 Factor Xa inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-04-13 US disclosed
EP-2114928-A2 THIOPHENE CARBOXAMIDES AS FACTOR XA INHIBITORS Millennium Pharmaceuticals, Inc. (US) 2009-11-11 EP disclosed
WO-2008086188-A2 THIOPHENE CARBOXAMIDES AS FACTOR XA INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2008-07-17 WO disclosed
US-20070185092-A1 FACTOR Xa INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-08-09 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-20070185092-A1 FACTOR Xa INHIBITORS TFPI, F12, F11 HTT 3416/4885RAB9A 1815/4885MAPT 4564/4885
US-20100234352-A1 FACTOR XA INHIBITORS TFPI, F12, F11 HTT 3416/4885RAB9A 1815/4885MAPT 4564/4885

“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.