SCHEMBL22284876

SCHEMBL22284876

CC(C=O)n1nc(C(=O)O)c2ccccc21

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 1/20 0.46
▸ HTR4 Q13639 12/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ ELANE P08246 3/20 0.42
▸ F2 P00734 2/20 0.42
▸ PLAU P00749 2/20 0.42
▸ CYP1A2 P05177 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ PMP22 Q01453 1/20 0.40
▸ HIF1A Q16665 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ POLB P06746 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ HTR2A P28223 1/20 0.38

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
SCHEMBL6957271 0.87 KMT2A (0.45) KMT2AHTR4KDM4EELANEF2
SCHEMBL29805676 0.84 HTR4 (0.55) KMT2AHTR4KDM4ECYP3A4HTR2A
SCHEMBL1832626 0.84 HTR4 (0.55) KMT2AHTR4KDM4ECYP3A4HTR2A
Hydrochloric Acid SCHEMBL1405875 0.83 HTR4 (0.54) KMT2AHTR4HTR2A
SCHEMBL15174608 0.81 KMT2A (0.47) KMT2AHTR4KDM4EELANEF2
SCHEMBL6956554 0.79 KMT2A (0.46) KMT2AHTR4KDM4EELANEF2
SCHEMBL6956867 0.79 KMT2A (0.46) KMT2AHTR4KDM4EELANEF2
SCHEMBL6956548 0.79 KMT2A (0.46) KMT2AHTR4KDM4EELANEF2
SCHEMBL27679755 0.78 SMN1; SMN2 (0.50) KMT2AKDM4EELANECYP1A2CYP2C9
SCHEMBL31429285 0.78 KMT2A (0.48) KMT2AHTR4KDM4EELANEF2

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-11548860-B2 Pharmacophores, compounds and methods having application in the treatment of cancer through inhibition of CYP17A1 and CYP19A1 MANGOSUTHU UNIVERSITY OF TECHNOLOGY (ZA) 2023-01-10 — — US disclosed
US-20200247764-A1 PHARMACOPHORES, COMPOUNDS AND METHODS HAVING APPLICATION IN THE TREATMENT OF CANCER THROUGH INHIBITION OF CYP17A1 AND CYP19A1 MANGOSUTHU UNIVERSITY TECHNOLOGY (ZA) 2020-08-06 — — 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-20200247764-A1 PHARMACOPHORES, COMPOUNDS AND METHODS HAVING APPLICATION IN THE TREATMENT OF CANCER THROUGH INHIBITION OF CYP17A1 AND CYP19A1 CYP19A1, CYP26A1, CYP21A2 KMT2A 1178/4885HTR4 820/4885KDM4E 2047/4885
US-11548860-B2 Pharmacophores, compounds and methods having application in the treatment of cancer through inhibition of CYP17A1 and CYP19A1 CYP19A1, CYP26A1, CYP21A2 KMT2A 1178/4885HTR4 820/4885KDM4E 2047/4885

“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.

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