SCHEMBL13717468

SCHEMBL13717468

CC(=O)Nc1ccccc1C#Cc1c(F)c(F)nc(F)c1F

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.41
▸ HPGD P15428 1/20 0.41
▸ KDM4E B2RXH2 4/20 0.38
▸ LMNA P02545 3/20 0.38
▸ CYP2C19 P33261 3/20 0.38
▸ POLB P06746 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ NPC1 O15118 2/20 0.37
▸ RAB9A P51151 2/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ KDR P35968 1/20 0.36
▸ TSHR P16473 2/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ HTT P42858 1/20 0.36
▸ GAA P10253 1/20 0.35
▸ MAOA P21397 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
SCHEMBL13820101 0.79 L3MBTL1 (0.34) ALDH1A1KDM4ELMNACYP2C19CYP1A2
SCHEMBL13820102 0.79 L3MBTL1 (0.35) ALDH1A1KDM4ELMNANPC1RAB9A
SCHEMBL13820103 0.75 LTA4H (0.41) —
SCHEMBL13820186 0.75 LTA4H (0.41) —
SCHEMBL13717236 0.74 KMT2A (0.65) ALDH1A1HPGDKDM4ECYP2C19POLB
SCHEMBL2231380 0.74 ALDH1A1 (0.63) ALDH1A1HPGDKDM4ELMNACYP2C19
Hydrochloric Acid SCHEMBL13716979 0.74 LTA4H (0.40) —
SCHEMBL13827297 0.74 MAOA (0.49) ALDH1A1HPGDKDM4ECYP2C19POLB
SCHEMBL3053094 0.73 ALDH1A1 (0.60) ALDH1A1HPGDKDM4ELMNACYP2C19
SCHEMBL13717147 0.73 GRM5 (0.56) ALDH1A1HPGDKDM4ECYP2C19POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8927728-B2 Dipeptide acetylene conjugates and a method for photocleavage of double strand DNA by dipeptide acetylene conjugates The Florida State University Research Foundation, Inc. (US) 2015-01-06 — — US disclosed
US-8927728-B2 Dipeptide acetylene conjugates and a method for photocleavage of double strand DNA by dipeptide acetylene conjugates The Florida State University Research Foundation, Inc. (US) 2015-01-06 — — US disclosed
US-8927728-B2 Dipeptide acetylene conjugates and a method for photocleavage of double strand DNA by dipeptide acetylene conjugates The Florida State University Research Foundation, Inc. (US) 2015-01-06 — — US disclosed
US-20120288940-A1 DIPEPTIDE ACETYLENE CONJUGATES AND A METHOD FOR PHOTOCLEAVAGE OF DOUBLE STRAND DNA BY DIPEPTIDE ACETYLENE CONJUGATES The Florida State University Research Foundation, Inc. (US) 2012-11-15 — — US disclosed
US-20120288940-A1 DIPEPTIDE ACETYLENE CONJUGATES AND A METHOD FOR PHOTOCLEAVAGE OF DOUBLE STRAND DNA BY DIPEPTIDE ACETYLENE CONJUGATES The Florida State University Research Foundation, Inc. (US) 2012-11-15 — — 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-20120288940-A1 DIPEPTIDE ACETYLENE CONJUGATES AND A METHOD FOR PHOTOCLEAVAGE OF DOUBLE STRAND DNA BY DIPEPTIDE ACETYLENE CONJUGATES DNPEP, DCLRE1A, PCNA ALDH1A1 1305/4885HPGD 692/4885KDM4E 3989/4885

“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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