SCHEMBL17034262

SCHEMBL17034262

CCc1cc(=O)[nH]c2ncnn12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.55
TDP1 Q9NUW8 1/20 0.45
HPGD P15428 3/20 0.44
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 4/20 0.43
SIRT5 Q9NXA8 1/20 0.43
POLB P06746 2/20 0.41
LMNA P02545 1/20 0.41
PKM P14618 1/20 0.41
KDM4E B2RXH2 4/20 0.36
GAA P10253 1/20 0.36
PLAT P00750 1/20 0.33
HSD17B10 Q99714 1/20 0.33
GRIN2D O15399 1/20 0.32
GRIN3B O60391 1/20 0.32
GRIN1 Q05586 1/20 0.32
GRIN2A Q12879 1/20 0.32
GRIN2B Q13224 1/20 0.32
GRIN2C Q14957 1/20 0.32

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
SCHEMBL2490713 0.74 TSHR (0.50) TSHRTDP1HPGDKMT2AMEN1
SCHEMBL20074180 0.73 TSHR (0.45) TSHRTDP1HPGDKMT2AMEN1
SCHEMBL20074197 0.69 TSHR (0.41) TSHRTDP1HPGDKMT2AMEN1
SCHEMBL20074286 0.69 ALDH1A1 (0.46) TSHRTDP1HPGDKMT2AMEN1
SCHEMBL2422627 0.68 TSHR (0.40) TSHRTDP1ALDH1A1SIRT5
SCHEMBL20074182 0.68 ALDH1A1 (0.47) TSHRTDP1HPGDKMT2AMEN1
SCHEMBL15083750 0.67 TSHR (0.43) TSHRTDP1HPGDKMT2AMEN1
SCHEMBL20074191 0.65 TSHR (0.38) TSHRTDP1HPGDALDH1A1SIRT5
SCHEMBL23710638 0.65 LMNA (0.41) TSHRKMT2AMEN1LMNAGRIN2D
SCHEMBL13760597 0.63 XDH (0.41) TSHRTDP1HPGDKMT2AMEN1

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-20170260219-A1 PHOSPHONATE COMPOUNDS FOR TREATMENT OF COMPLEMENT MEDIATED DISORDERS ACHILLION PHARMACEUTICALS, INC. (US) 2017-09-14 US disclosed
US-20150239895-A1 Aryl, Heteroaryl, and Heterocyclic Compounds for Treatment of Complement Mediated Disorders ACHILLION PHARMACEUTICALS, INC. (US) 2015-08-27 US disclosed
US-20150239921-A1 Phosphonate Compounds for Treatment of Complement Mediated Disorders ACHILLION PHARMACEUTICALS, INC. (US) 2015-08-27 US disclosed
US-20150239893-A1 Amide Compounds for Treatment of Complement Mediated Disorders ACHILLION PHARMACEUTICALS, INC. (US) 2015-08-27 US disclosed
US-20150239920-A1 Ether Compounds for Treatment of Complement Mediated Disorders ACHILLION PHARMACEUTICALS, INC. (US) 2015-08-27 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 (5 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-20170260219-A1 PHOSPHONATE COMPOUNDS FOR TREATMENT OF COMPLEMENT MEDIATED DISORDERS CFD, TFPI, C1QBP TSHR 2182/4885TDP1 2119/4885HPGD 2701/4885
US-20150239920-A1 Ether Compounds for Treatment of Complement Mediated Disorders TFPI, CFD, C9 TSHR 1591/4885TDP1 3262/4885HPGD 3029/4885
US-20150239895-A1 Aryl, Heteroaryl, and Heterocyclic Compounds for Treatment of Complement Mediated Disorders TFPI, CFD, F3 TSHR 846/4885TDP1 3474/4885HPGD 1890/4885
US-20150239893-A1 Amide Compounds for Treatment of Complement Mediated Disorders CFD, TFPI, C9 TSHR 1131/4885TDP1 3469/4885HPGD 2340/4885
US-20150239921-A1 Phosphonate Compounds for Treatment of Complement Mediated Disorders CFD, TFPI, C1QBP TSHR 2182/4885TDP1 2119/4885HPGD 2701/4885

“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.