SCHEMBL1805928

SCHEMBL1805928

Cc1c(C([NH])=O)cccc1[N+](=O)[O-]

nearest known ligand 0.72

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.72
TDP1 Q9NUW8 2/20 0.62
GLA P06280 1/20 0.57
SMN1; SMN2 Q16637 2/20 0.56
KMT2A Q03164 5/20 0.54
MEN1 O00255 3/20 0.54
CYP2C9 P11712 1/20 0.54
DHODH Q02127 1/20 0.54
LMNA P02545 2/20 0.52
ALDH1A1 P00352 3/20 0.51
L3MBTL1 Q9Y468 3/20 0.50
HPGD P15428 2/20 0.50
CYP1A2 P05177 1/20 0.48
POLB P06746 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C19 P33261 1/20 0.48

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
SCHEMBL30041946 0.84 TSHR (0.74) TSHRTDP1GLASMN1; SMN2KMT2A
SCHEMBL33663 0.84 TSHR (1.00) TSHRTDP1GLASMN1; SMN2KMT2A
SCHEMBL2932050 0.84 TSHR (0.74) TSHRTDP1GLASMN1; SMN2KMT2A
Hydrochloric Acid SCHEMBL5787034 0.82 TSHR (0.96) TSHRTDP1GLASMN1; SMN2KMT2A
SCHEMBL1805930 0.82 TSHR (0.72) TSHRTDP1GLASMN1; SMN2KMT2A
Hydrochloric Acid SCHEMBL6407719 0.82 TSHR (0.96) TSHRTDP1GLASMN1; SMN2KMT2A
Ammonia Solution, Strong SCHEMBL8032064 0.82 TSHR (0.96) TSHRTDP1GLASMN1; SMN2KMT2A
SCHEMBL5727143 0.82 TSHR (0.72) TSHRTDP1GLASMN1; SMN2KMT2A
SCHEMBL16950684 0.81 TSHR (0.71) TSHRTDP1GLASMN1; SMN2KMT2A
SCHEMBL1498146 0.81 ALDH1A1 (0.63) TSHRTDP1SMN1; SMN2KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8404036-B2 Water-soluble near-infrared absorbing coloring matters and aqueous inks containing same NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2013-03-26 US disclosed
US-20110123784-A1 WATER-SOLUBLE NEAR-INFRARED ABSORBING COLORING MATTERS AND AQUEOUS INKS CONTAINING SAME NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2011-05-26 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-20110123784-A1 WATER-SOLUBLE NEAR-INFRARED ABSORBING COLORING MATTERS AND AQUEOUS INKS CONTAINING SAME IK, RB1, COL1A1 TSHR 3565/4885TDP1 3524/4885GLA 425/4885

“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.