SCHEMBL12366131

SCHEMBL12366131

CC1C=C(c2cccnc2Cl)c2cc(C(=O)O)ccc2O1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 6/20 0.38
TDP1 Q9NUW8 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
LMNA P02545 1/20 0.38
POLB P06746 1/20 0.36
RORC P51449 1/20 0.34
CHRM2 P08172 1/20 0.34
CCR1 P32246 1/20 0.34
CCR5 P51681 1/20 0.34
TTR P02766 1/20 0.34
TBXAS1 P24557 1/20 0.34
TBXA2R P21731 1/20 0.34
AVPR2 P30518 1/20 0.34
AVPR1A P37288 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
PTPRC P08575 2/20 0.33
GAA P10253 1/20 0.33
RAB9A P51151 1/20 0.33

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
SCHEMBL12366126 0.88 ALOX15 (0.45) POLBAVPR2AVPR1AMEN1KMT2A
SCHEMBL12366169 0.86 TDP1 (0.38) DHODHTDP1SMN1; SMN2POLBTTR
SCHEMBL12366592 0.85 HTR2B (0.42)
SCHEMBL12366174 0.83 TDP1 (0.41) TDP1SMN1; SMN2POLBTTRMEN1
SCHEMBL12366237 0.82 TDP1 (0.39) TDP1SMN1; SMN2POLBTTRMEN1
SCHEMBL12366205 0.82 TDP1 (0.40) TDP1TTRPTPRC
SCHEMBL12365227 0.79 TDP1 (0.42) TDP1POLBTTRMEN1KMT2A
SCHEMBL12366247 0.79 NAPRT (0.38) TDP1TTR
SCHEMBL12366147 0.79 KMO (0.39) TDP1RORCTTRPTPRC
SCHEMBL12366207 0.78 TDP1 (0.41) TDP1SMN1; SMN2TTRMEN1KMT2A

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-20110207729-A1 BICYCLIC ACYLGUANIDINE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2011-08-25 US disclosed
US-20110207729-A1 BICYCLIC ACYLGUANIDINE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2011-08-25 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-20110207729-A1 BICYCLIC ACYLGUANIDINE DERIVATIVE HTR5A, HTR2A, HTR1E DHODH 1790/4885TDP1 378/4885SMN1; SMN2 3728/4885

“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.