SCHEMBL10145320

SCHEMBL10145320

Nc1cc(-c2nnn[nH]2)ccc1F

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.53
TDP1 Q9NUW8 2/20 0.53
LMNA P02545 1/20 0.53
MAPT P10636 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
ESR2 Q92731 1/20 0.53
MAP4K4 O95819 1/20 0.40
CYP1A1 P04798 1/20 0.39
NPC1 O15118 1/20 0.36
TP53 P04637 1/20 0.36
PKM P14618 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
BRD4 O60885 1/20 0.33
NOTUM Q6P988 1/20 0.32
PDE3B Q13370 2/20 0.32
PDE3A Q14432 2/20 0.32
PARP1 P09874 1/20 0.31
MEN1 O00255 1/20 0.30

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
Hydrochloric Acid SCHEMBL952763 0.98 HSD17B10 (0.51) HSD17B10TDP1LMNAMAPTCYP2C9
Hydrochloric Acid SCHEMBL16176998 0.82 TDP1 (0.46) HSD17B10TDP1LMNAMAPTCYP2C9
SCHEMBL26230907 0.79 ALDH1A1 (0.46) HSD17B10TDP1LMNAMAPTCYP2C9
SCHEMBL5815024 0.79 PARP1 (0.40) HSD17B10TDP1LMNAMAPTCYP2C9
SCHEMBL4083350 0.79 TSHR (0.39) HSD17B10TDP1LMNAMAPTCYP2C9
SCHEMBL4029411 0.79 TDP1 (0.32) HSD17B10TDP1LMNAMAPTCYP2C9
SCHEMBL10321032 0.79 ALDH1A1 (0.48) HSD17B10TDP1LMNAMAPTCYP2C9
SCHEMBL4026326 0.76 ALDH1A1 (0.35) HSD17B10TDP1MAPTNPC1PKM
SCHEMBL7315346 0.76 ALDH1A1 (0.53) HSD17B10TDP1LMNAMAPTNPC1
SCHEMBL4399156 0.76 ALDH1A1 (0.52) HSD17B10TDP1LMNAMAPTESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120115869-A1 TETRAZOLE DERIVATIVES MERCK SERONO S.A. (CH) 2012-05-10 US disclosed
US-20120115869-A1 TETRAZOLE DERIVATIVES MERCK SERONO S.A. (CH) 2012-05-10 US disclosed
US-7879893-B2 Zinc binding ligand; sustained release of insulin NOVO NORDISK A/S (DK) 2011-02-01 US disclosed
US-7879893-B2 Zinc binding ligand; sustained release of insulin NOVO NORDISK A/S (DK) 2011-02-01 US disclosed
WO-2011006935-A2 TETRAZOLE DERIVATIVES MERCK SERONO S.A. (CH) 2011-01-20 WO disclosed
US-20090123563-A1 Pharmaceutical Preparations Comprising Insulin, Zinc Ions and Zinc-Binding Ligand NOVO NORDISK A/S (DK) 2009-05-14 US disclosed
US-20090123563-A1 Pharmaceutical Preparations Comprising Insulin, Zinc Ions and Zinc-Binding Ligand NOVO NORDISK A/S (DK) 2009-05-14 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-20120115869-A1 TETRAZOLE DERIVATIVES TSLP, IL5, CMA1 HSD17B10 768/4885TDP1 3941/4885LMNA 4204/4885
US-20090123563-A1 Pharmaceutical Preparations Comprising Insulin, Zinc Ions and Zinc-Binding Ligand IAPP, IRS1, HBB HSD17B10 189/4885TDP1 4829/4885LMNA 4419/4885

“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.