SCHEMBL2805915

SCHEMBL2805915

Cc1ccc(Nc2ccc(CNC(=O)C3(N)CC3)nc2)c(Cl)c1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 5/20 0.41
RAB9A P51151 3/20 0.40
HPGD P15428 1/20 0.40
HDAC3 O15379 2/20 0.39
HDAC1 Q13547 2/20 0.39
HDAC6 Q9UBN7 2/20 0.39
NAMPT P43490 1/20 0.38
NPC1 O15118 2/20 0.37
HTR1A P08908 4/20 0.36
P2RX7 Q99572 2/20 0.36
KMT2A Q03164 2/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
DRD2 P14416 1/20 0.35
DRD4 P21917 1/20 0.35
DRD3 P35462 1/20 0.35

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
SCHEMBL2782852 0.89 DHODH (0.39) DHODHRAB9AHPGDHDAC3HDAC1
SCHEMBL2808640 0.88 AKT2 (0.44) RAB9AHDAC3NAMPTNPC1P2RX7
SCHEMBL13128603 0.81 BDKRB1 (0.43) DHODHRAB9AHPGDNAMPTHTR1A
SCHEMBL2805231 0.81 KMT2A (0.38) DHODHRAB9ANPC1KMT2A
SCHEMBL2805697 0.79 RAB9A (0.41) RAB9ANPC1P2RX7KMT2AMAPT
SCHEMBL2808559 0.79 F11 (0.39) DHODHRAB9ANPC1HTR1AP2RX7
SCHEMBL2779585 0.78 AURKA (0.40) RAB9AHDAC3NAMPTNPC1P2RX7
SCHEMBL185862 0.77 DHODH (0.42) DHODHHDAC3HDAC1HDAC6NPC1
SCHEMBL2808542 0.77 CNR2 (0.41) RAB9ANAMPTNPC1HTR1AKMT2A
SCHEMBL2807472 0.76 P2RX7 (0.39) HDAC3HDAC1HDAC6P2RX7

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-20130131075-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-05-23 US disclosed
US-20100240669-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-23 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-20130131075-A1 NEW COMPOUNDS ADORA1, H1-10, P2RY11 DHODH 2925/4885RAB9A 347/4885HPGD 2326/4885
US-20100240669-A1 NEW COMPOUNDS ADORA1, H1-10, P2RY11 DHODH 2925/4885RAB9A 347/4885HPGD 2326/4885

“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.