SCHEMBL12002141

SCHEMBL12002141

BN(Cc1ccc2c(c1)OCCO2)C1CCN(CCn2c(=O)cc(C(=O)OC)c3ccccc32)CC1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TAF1 P21675 1/20 0.43
HTR3E A5X5Y0 8/20 0.40
HTR3B O95264 8/20 0.40
HTR3A P46098 8/20 0.40
HTR3D Q70Z44 8/20 0.40
HTR3C Q8WXA8 8/20 0.40
ALDH1A1 P00352 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
MAPK10 P53779 1/20 0.40
LMNA P02545 2/20 0.39
CNR1 P21554 1/20 0.38
KCNH2 Q12809 2/20 0.37
MCHR1 Q99705 1/20 0.37

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
SCHEMBL5046677 0.90 LMNA (0.45) TAF1HTR3EHTR3BHTR3AHTR3D
SCHEMBL13264361 0.87 SMN1; SMN2 (0.42) ALDH1A1SMN1; SMN2LMNAKCNH2MCHR1
SCHEMBL12002254 0.87 KCNH2 (0.43) LMNAKCNH2MCHR1
SCHEMBL2796318 0.87 LMNA (0.41) TAF1HTR3EHTR3BHTR3AHTR3D
SCHEMBL12002158 0.86 KCNH2 (0.43) ALDH1A1SMN1; SMN2TSHRMAPK1LMNA
SCHEMBL12000213 0.85 KCNH2 (0.48) TAF1HTR3EHTR3BHTR3AHTR3D
Hydrochloric Acid SCHEMBL2799164 0.84 KCNH2 (0.48) TAF1HTR3EHTR3BHTR3AHTR3D
SCHEMBL5044720 0.82 UBE2M (0.44) ALDH1A1SMN1; SMN2TSHRMAPK1MAPK10
SCHEMBL5046667 0.81 UBE2M (0.44) TAF1HTR3EHTR3BHTR3AHTR3D
SCHEMBL13264442 0.81 KCNH2 (0.45) SMN1; SMN2LMNACNR1KCNH2MCHR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120214990-A1 QUINOLINONES AND QUINOXALINONES AS ANTIBACTERIAL COMPOSITION TAISHO PHARMACEUTICAL CO., LTD. (JP) 2012-08-23 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 (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-20120214990-A1 QUINOLINONES AND QUINOXALINONES AS ANTIBACTERIAL COMPOSITION NQO2, ASNS, NDUFS1 TAF1 2812/4885HTR3E 4654/4885HTR3B 4505/4885

“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.