SCHEMBL18911998

SCHEMBL18911998

C=Cc1cc2ccn(CC(N)=O)c2cc1F

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 6/20 0.40
HTR2C P28335 6/20 0.40
KRAS P01116 6/20 0.36
KDM1A O60341 1/20 0.35
FGFR1 P11362 1/20 0.35
FGFR4 P22455 1/20 0.35
LMNA P02545 1/20 0.35
ALDH1A1 P00352 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
NPY5R Q15761 1/20 0.34
KMT2A Q03164 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
HTR2B P41595 1/20 0.34
FAAH O00519 1/20 0.34
F2 P00734 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
SCHEMBL23519846 0.88 KMT2A (0.48) HTR2AHTR2CKRASFGFR1FGFR4
SCHEMBL21936808 0.83 KRAS (0.41) HTR2AHTR2CKRASKDM1AALDH1A1
SCHEMBL18912005 0.83 GRIN2B (0.46) HTR2AHTR2CKRAS
SCHEMBL24901027 0.79 HTR2A (0.46) HTR2AHTR2CKDM1AFGFR1FGFR4
SCHEMBL18911985 0.79 HTR2A (0.46) HTR2AHTR2CKDM1ALMNAALDH1A1
SCHEMBL18912161 0.76 HTR2A (0.40) HTR2AHTR2CKRASKDM1AFGFR1
SCHEMBL31177216 0.74 HTR2C (0.55) HTR2AHTR2CLMNAALDH1A1NPY5R
SCHEMBL2014724 0.74 HTR2C (0.55) HTR2AHTR2CLMNANPY5RKMT2A
SCHEMBL14485186 0.70 KMT2A (0.57) HTR2AHTR2CNPY5RKMT2A
SCHEMBL18912153 0.70 CYP2A6 (0.41) HTR2AHTR2CL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210179634-A1 NOVEL BIPHENYL COMPOUND OR SALT THEREOF TAIHO PHARMACEUTICAL CO., LTD. (JP) 2021-06-17 US disclosed
US-20200190175-A1 METHOD FOR PREDICTING THERAPEUTIC EFFECT OF LSD1 INHIBITOR BASED ON EXPRESSION OF INSM1 TAIHO PHARMACEUTICAL CO., LTD. (JP) 2020-06-18 US disclosed
WO-2017090756-A1 NOVEL BIPHENYL COMPOUND OR SALT THEREOF 大鵬薬品工業株式会社 2017-06-01 WO 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-20200190175-A1 METHOD FOR PREDICTING THERAPEUTIC EFFECT OF LSD1 INHIBITOR BASED ON EXPRESSION OF INSM1 INMT, CARM1, KDM1B HTR2A 1857/4885HTR2C 2923/4885KRAS 3707/4885
US-20210179634-A1 NOVEL BIPHENYL COMPOUND OR SALT THEREOF KDM1B, KDM1A, HDAC1 HTR2A 3846/4885HTR2C 3819/4885KRAS 484/4885

“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.