SCHEMBL4848321

SCHEMBL4848321

CN1NN=C(CNc2ccc(OC(F)(F)F)cc2)N1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.45
MAPT P10636 2/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
POLB P06746 2/20 0.41
ABL1 P00519 1/20 0.40
BCR P11274 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPK1 P28482 1/20 0.40
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40

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
SCHEMBL4849731 0.82 MAPT (0.40) MAPTKIF11FLT1KDRLMNA
SCHEMBL4030229 0.70 HTT (0.47) HTTMAPTMEN1KMT2ARAB9A
SCHEMBL632373 0.69 HTT (0.48) HTTMAPTMEN1KMT2ARAB9A
SCHEMBL747450 0.68 POLB (0.59) HTTMAPTMEN1KMT2ARAB9A
SCHEMBL13232514 0.67 HDAC3 (0.57) HTTMAPTMEN1KMT2ARAB9A
SCHEMBL6233494 0.67 POLB (0.58) HTTMAPTMEN1KMT2ARAB9A
SCHEMBL631746 0.66 TAAR1 (0.59) HTTMAPTMEN1KMT2ARAB9A
SCHEMBL2469478 0.66 TAAR1 (0.59) HTTMAPTMEN1KMT2ARAB9A
SCHEMBL3637561 0.66 HTT (0.51) HTTMAPTMEN1KMT2ARAB9A
SCHEMBL12932849 0.66 POLB (0.53) HTTMAPTMEN1KMT2ARAB9A

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-7414068-B2 Benzopyran derivatives substituted with secondary amines including tetrazole, method for the preparation thereof and pharmaceutical compositions containing them DONGBU HANNONG CHEMICAL CO., LTD. (KR) 2008-08-19 US disclosed
EP-1499610-A4 BENZOPYRAN DERIVATIVES SUBSTITUTED WITH SECONDARY AMINES INCLUDING TETRAZOLE, METHOD FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DONGBU HANNONG CHEMICAL CO LTD (KR) 2006-05-24 EP disclosed
US-20060035948-A1 Benzopyran derivatives substituted with secondary amines including tetrazole, method for the preparation thereof and pharmaceutical compositions containing them DONGBU HANNONG CHEMICAL CO., LTD. (KR) 2006-02-16 US disclosed
EP-1499610-A2 BENZOPYRAN DERIVATIVES SUBSTITUTED WITH SECONDARY AMINES INCLUDING TETRAZOLE, METHOD FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Dongbu Hannong Chemical Co., Ltd. (KR) 2005-01-26 EP disclosed
WO-2003084464-A2 BENZOPYRAN DERIVATIVES SUBSTITUTED WITH SECONDARY AMINES INCLUDING TETRAZOLE, METHOD FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DONGBU HANNONG CHEMICAL CO., LTD (KR) 2003-10-16 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 (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-20060035948-A1 Benzopyran derivatives substituted with secondary amines including tetrazole, method for the preparation thereof and pharmaceutical compositions containing them TH, TNNI3, NOS3 HTT 2152/4885MAPT 1509/4885MEN1 3601/4885

“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.