SCHEMBL9907412

SCHEMBL9907412

Cc1ccc(-c2ccnc3ccc(C(=O)O)cc23)cc1F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMO O15229 2/20 0.50
AKR1C3 P42330 2/20 0.41
AKR1C2 P52895 2/20 0.41
IP6K1 Q92551 2/20 0.41
IP6K3 Q96PC2 2/20 0.41
IP6K2 Q9UHH9 2/20 0.41
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
POLB P06746 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 1/20 0.41
CAMKK1 Q8N5S9 2/20 0.41
CAMKK2 Q96RR4 2/20 0.41
ACVR1 Q04771 1/20 0.40
IL1B P01584 1/20 0.40
AKR1B10 O60218 1/20 0.40
AKR1C4 P17516 1/20 0.40
AKR1C1 Q04828 1/20 0.40
KDM5A P29375 1/20 0.40
KDM5B Q9UGL1 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
SCHEMBL9907411 0.90 MPL (0.45) KMOIP6K1IP6K3IP6K2MEN1
SCHEMBL9907409 0.87 ALOX15 (0.45) KMOTLR8KDM4EALDH1A1GAA
SCHEMBL9907820 0.84 HTR5A (0.53) KMO
SCHEMBL9909220 0.83 KIF11 (0.50) KMOIP6K1IP6K3IP6K2CAMKK1
SCHEMBL9909223 0.81 KMO (0.52) KMOIP6K1IP6K3IP6K2CAMKK1
SCHEMBL9907472 0.80 HTR5A (0.44) IP6K1IP6K3IP6K2MEN1NPC1
SCHEMBL9907403 0.79 JAK2 (0.45) IP6K1IP6K3IP6K2MEN1NPC1
SCHEMBL9907326 0.78 PIK3CA (0.57) IP6K1IP6K3IP6K2MEN1NPC1
SCHEMBL9907394 0.78 CSNK2A2 (0.43) IP6K1IP6K3IP6K2MEN1NPC1
SCHEMBL9907408 0.77 ALOX15 (0.45) TLR8KDM4EALDH1A1GAAPIK3CA

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-8853242-B2 Nitrogenous-ring acylguanidine derivative ASTELLAS PHARMA INC. (JP) 2014-10-07 US disclosed
US-20120142727-A1 NITROGENOUS-RING ACYLGUANIDINE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2012-06-07 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-20120142727-A1 NITROGENOUS-RING ACYLGUANIDINE DERIVATIVE HTR5A, HTR2A, HTR1E KMO 559/4885AKR1C3 1605/4885AKR1C2 1483/4885

“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.