Ethane

Ethane

SCHEMBL6533732

CC.O=C=Nc1cccc(C(=O)O)c1

nearest known ligand 0.51

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.51
RAB9A P51151 5/20 0.51
NPC1 O15118 4/20 0.51
KMT2A Q03164 4/20 0.51
POLB P06746 3/20 0.51
MEN1 O00255 3/20 0.51
ALDH1A1 P00352 2/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
GAA P10253 1/20 0.51
THRB P10828 1/20 0.51
PLCG1 P19174 1/20 0.51
SMN1; SMN2 Q16637 4/20 0.49
NOS3 P29474 2/20 0.48
NOS1 P29475 2/20 0.48
NOS2 P35228 2/20 0.48
LMNA P02545 1/20 0.47
UNG P13051 1/20 0.46
GFER P55789 1/20 0.46
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46

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
SCHEMBL4393821 0.96 MAPT (0.54) MAPTRAB9ANPC1KMT2APOLB
Methylamine SCHEMBL27075697 0.95 MAPT (0.50) MAPTRAB9ANPC1KMT2APOLB
Methane SCHEMBL7696978 0.95 MAPT (0.53) MAPTRAB9ANPC1KMT2APOLB
Ammonia Solution, Strong SCHEMBL27092164 0.95 MAPT (0.53) MAPTRAB9ANPC1KMT2APOLB
Hydrochloric Acid SCHEMBL10393362 0.95 MAPT (0.53) MAPTRAB9ANPC1KMT2APOLB
SCHEMBL60465 0.84 KMT2A (0.47) MAPTRAB9ANPC1KMT2APOLB
SCHEMBL1046632 0.83 TDP1 (0.48) MAPTRAB9ANPC1KMT2APOLB
SCHEMBL9717935 0.82 ATM (0.59) MAPTRAB9ANPC1KMT2AMEN1
SCHEMBL69865 0.81 RAB9A (0.65) MAPTRAB9ANPC1KMT2APOLB
SCHEMBL31045928 0.81 RAB9A (0.65) MAPTRAB9ANPC1KMT2APOLB

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-20050171094-A1 Pyrrolopyrimidine derivatives TEIJIN, LIMITED (JP) 2005-08-04 US disclosed
US-20040266766-A1 Selective urokinase inhibitors WILEX AG (DE) 2004-12-30 US disclosed
EP-1477490-A1 PYRROLOPYRIMIDINE DERIVATIVE TEIJIN LIMITED (JP) 2004-11-17 EP 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-20040266766-A1 Selective urokinase inhibitors PLAU, PLAUR, SERPINE1 MAPT 3889/4885RAB9A 2546/4885NPC1 4425/4885
US-20050171094-A1 Pyrrolopyrimidine derivatives GSK3B, GSK3A, GSKIP MAPT 296/4885RAB9A 2170/4885NPC1 2836/4885

“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.